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

C19H16ClN7O3 — CID 19581512

IUPACN-(2-chloro-5-nitrophenyl)-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ncc(-c2ccnc3cc(C(=O)Nc4cc([N+](=O)[O-])ccc4Cl)nn23)c1C
InChIInChI=1S/C19H16ClN7O3/c1-3-25-11(2)13(10-22-25)17-6-7-21-18-9-16(24-26(17)18)19(28)23-15-8-12(27(29)30)4-5-14(15)20/h4-10H,3H2,1-2H3,(H,23,28)
InChIKeyCNNSKGPBBZKWEF-UHFFFAOYSA-N
MW425.84 g/mol
LogP3.74
Rot. Bonds5

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

N-(2-chloro-5-nitrophenyl)-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19581512) has the molecular formula C19H16ClN7O3 and a molecular weight of 425.84 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19581512
Molecular FormulaC19H16ClN7O3
Molecular Weight425.84 g/mol
Exact Mass425.10
IUPAC NameN-(2-chloro-5-nitrophenyl)-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ncc(-c2ccnc3cc(C(=O)Nc4cc([N+](=O)[O-])ccc4Cl)nn23)c1C
InChIInChI=1S/C19H16ClN7O3/c1-3-25-11(2)13(10-22-25)17-6-7-21-18-9-16(24-26(17)18)19(28)23-15-8-12(27(29)30)4-5-14(15)20/h4-10H,3H2,1-2H3,(H,23,28)
InChIKeyCNNSKGPBBZKWEF-UHFFFAOYSA-N
XLogP3.74
TPSA120.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.84
LogP ≤ 53.74
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

7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19581526
7-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468781
dimethyl 5-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19468661
7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4776201
N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide
CID 19475346
N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19414430
7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468755
methyl 2-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]acetate
CID 19414314
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135846657
N-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468764
N-cyclohexyl-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468763
ethyl 5-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 19414384

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19581512) is N-(2-chloro-5-nitrophenyl)-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1ncc(-c2ccnc3cc(C(=O)Nc4cc([N+](=O)[O-])ccc4Cl)nn23)c1C.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CNNSKGPBBZKWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN7O3/c1-3-25-11(2)13(10-22-25)17-6-7-21-18-9-16(24-26(17)18)19(28)23-15-8-12(27(29)30)4-5-14(15)20/h4-10H,3H2,1-2H3,(H,23,28).
What are the key properties of N-(2-chloro-5-nitrophenyl)-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2-chloro-5-nitrophenyl)-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 425.84 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19581512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).