N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H23N7O5 — CID 19416540

IUPACN-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(-c2ccnc3c(C(=O)NC(CO)C(O)c4ccc([N+](=O)[O-])cc4)cnn23)c(C)n1
InChIInChI=1S/C22H23N7O5/c1-3-27-11-17(13(2)26-27)19-8-9-23-21-16(10-24-28(19)21)22(32)25-18(12-30)20(31)14-4-6-15(7-5-14)29(33)34/h4-11,18,20,30-31H,3,12H2,1-2H3,(H,25,32)
InChIKeyYVZBVLVPPWWPIQ-UHFFFAOYSA-N
MW465.47 g/mol
LogP1.65
Rot. Bonds8

About N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19416540) has the molecular formula C22H23N7O5 and a molecular weight of 465.47 g/mol. Its IUPAC name is N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19416540
Molecular FormulaC22H23N7O5
Molecular Weight465.47 g/mol
Exact Mass465.18
IUPAC NameN-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(-c2ccnc3c(C(=O)NC(CO)C(O)c4ccc([N+](=O)[O-])cc4)cnn23)c(C)n1
InChIInChI=1S/C22H23N7O5/c1-3-27-11-17(13(2)26-27)19-8-9-23-21-16(10-24-28(19)21)22(32)25-18(12-30)20(31)14-4-6-15(7-5-14)29(33)34/h4-11,18,20,30-31H,3,12H2,1-2H3,(H,25,32)
InChIKeyYVZBVLVPPWWPIQ-UHFFFAOYSA-N
XLogP1.65
TPSA160.71 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416783
N-ethyl-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416589
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414793
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-methoxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414812
N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280866
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416582
N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416544
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416584
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416490
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416566
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414790
N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416613

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19416540) is N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(-c2ccnc3c(C(=O)NC(CO)C(O)c4ccc([N+](=O)[O-])cc4)cnn23)c(C)n1.
What is the InChIKey of N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YVZBVLVPPWWPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O5/c1-3-27-11-17(13(2)26-27)19-8-9-23-21-16(10-24-28(19)21)22(32)25-18(12-30)20(31)14-4-6-15(7-5-14)29(33)34/h4-11,18,20,30-31H,3,12H2,1-2H3,(H,25,32).
What are the key properties of N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 465.47 g/mol, XLogP of 1.65, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19416540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).