N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H17N7O3 — CID 4862897

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1cnn2c(-c3cccc([N+](=O)[O-])c3)ccnc12
InChIInChI=1S/C19H17N7O3/c1-12-14(11-24(2)23-12)9-21-19(27)16-10-22-25-17(6-7-20-18(16)25)13-4-3-5-15(8-13)26(28)29/h3-8,10-11H,9H2,1-2H3,(H,21,27)
InChIKeyLNEGQYHIUZAXRH-UHFFFAOYSA-N
MW391.39 g/mol
LogP2.28
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4862897) has the molecular formula C19H17N7O3 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4862897
Molecular FormulaC19H17N7O3
Molecular Weight391.39 g/mol
Exact Mass391.14
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1cnn2c(-c3cccc([N+](=O)[O-])c3)ccnc12
InChIInChI=1S/C19H17N7O3/c1-12-14(11-24(2)23-12)9-21-19(27)16-10-22-25-17(6-7-20-18(16)25)13-4-3-5-15(8-13)26(28)29/h3-8,10-11H,9H2,1-2H3,(H,21,27)
InChIKeyLNEGQYHIUZAXRH-UHFFFAOYSA-N
XLogP2.28
TPSA120.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19288548
N-(4-bromo-2-fluorophenyl)-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17022131
N-(1,3-dimethylpyrazol-4-yl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19346262
ethyl 7-[3-[(1,3-dimethyl-4-nitropyrazole-5-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19480841
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-nitrobenzamide
CID 115989525
N-(2-hydroxy-5-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440566
7-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42803837
7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440483
N-(2,6-dibromo-4-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440379
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 112671836
N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 60506856
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55852521

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4862897) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn(C)cc1CNC(=O)c1cnn2c(-c3cccc([N+](=O)[O-])c3)ccnc12.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LNEGQYHIUZAXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O3/c1-12-14(11-24(2)23-12)9-21-19(27)16-10-22-25-17(6-7-20-18(16)25)13-4-3-5-15(8-13)26(28)29/h3-8,10-11H,9H2,1-2H3,(H,21,27).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4862897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).