7-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H20N8O4 — CID 19416582

IUPAC7-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(-c2ccnc3c(C(=O)Nc4cc(Oc5cccnc5)cc([N+](=O)[O-])c4)cnn23)c(C)n1
InChIInChI=1S/C24H20N8O4/c1-3-30-14-21(15(2)29-30)22-6-8-26-23-20(13-27-31(22)23)24(33)28-16-9-17(32(34)35)11-19(10-16)36-18-5-4-7-25-12-18/h4-14H,3H2,1-2H3,(H,28,33)
InChIKeyZCGNCCFXFHMUSJ-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.27
Rot. Bonds7

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

7-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19416582) has the molecular formula C24H20N8O4 and a molecular weight of 484.48 g/mol. Its IUPAC name is 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19416582
Molecular FormulaC24H20N8O4
Molecular Weight484.48 g/mol
Exact Mass484.16
IUPAC Name7-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(-c2ccnc3c(C(=O)Nc4cc(Oc5cccnc5)cc([N+](=O)[O-])c4)cnn23)c(C)n1
InChIInChI=1S/C24H20N8O4/c1-3-30-14-21(15(2)29-30)22-6-8-26-23-20(13-27-31(22)23)24(33)28-16-9-17(32(34)35)11-19(10-16)36-18-5-4-7-25-12-18/h4-14H,3H2,1-2H3,(H,28,33)
InChIKeyZCGNCCFXFHMUSJ-UHFFFAOYSA-N
XLogP4.27
TPSA142.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
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'}

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Related Compounds

7-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-methoxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414812
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416584
N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416737
ethyl 7-[3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19416569
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416796
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414790
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-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416561
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414772
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-[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
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 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19416582) is 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(-c2ccnc3c(C(=O)Nc4cc(Oc5cccnc5)cc([N+](=O)[O-])c4)cnn23)c(C)n1.
What is the InChIKey of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZCGNCCFXFHMUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O4/c1-3-30-14-21(15(2)29-30)22-6-8-26-23-20(13-27-31(22)23)24(33)28-16-9-17(32(34)35)11-19(10-16)36-18-5-4-7-25-12-18/h4-14H,3H2,1-2H3,(H,28,33).
What are the key properties of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19416582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).