N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H21ClN8O — CID 19416544

IUPACN-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(-c2ccnc3c(C(=O)NCCCn4cc(Cl)cn4)cnn23)c(C)n1
InChIInChI=1S/C19H21ClN8O/c1-3-26-12-16(13(2)25-26)17-5-7-21-18-15(10-24-28(17)18)19(29)22-6-4-8-27-11-14(20)9-23-27/h5,7,9-12H,3-4,6,8H2,1-2H3,(H,22,29)
InChIKeyKTJIWHJSJSLRRL-UHFFFAOYSA-N
MW412.89 g/mol
LogP2.59
Rot. Bonds7

About N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19416544) has the molecular formula C19H21ClN8O and a molecular weight of 412.89 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19416544
Molecular FormulaC19H21ClN8O
Molecular Weight412.89 g/mol
Exact Mass412.15
IUPAC NameN-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(-c2ccnc3c(C(=O)NCCCn4cc(Cl)cn4)cnn23)c(C)n1
InChIInChI=1S/C19H21ClN8O/c1-3-26-12-16(13(2)25-26)17-5-7-21-18-15(10-24-28(17)18)19(29)22-6-4-8-27-11-14(20)9-23-27/h5,7,9-12H,3-4,6,8H2,1-2H3,(H,22,29)
InChIKeyKTJIWHJSJSLRRL-UHFFFAOYSA-N
XLogP2.59
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.89
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-chloropyrazol-1-yl)propyl]-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

4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride
CID 19414820
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-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416490
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-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416566
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19329969
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414793
N-butyl-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24716766
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414821
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414790
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416507
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416561

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19416544) is N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(-c2ccnc3c(C(=O)NCCCn4cc(Cl)cn4)cnn23)c(C)n1.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KTJIWHJSJSLRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN8O/c1-3-26-12-16(13(2)25-26)17-5-7-21-18-15(10-24-28(17)18)19(29)22-6-4-8-27-11-14(20)9-23-27/h5,7,9-12H,3-4,6,8H2,1-2H3,(H,22,29).
What are the key properties of N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 412.89 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19416544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).