3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide

C13H11ClN6O — CID 64523056

IUPAC3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)Nc2cc(Cl)ccc2-n2cccn2)[nH]n1
InChIInChI=1S/C13H11ClN6O/c14-8-2-3-11(20-5-1-4-16-20)9(6-8)17-13(21)10-7-12(15)19-18-10/h1-7H,(H,17,21)(H3,15,18,19)
InChIKeyQAGKKZKMCVDGFS-UHFFFAOYSA-N
MW302.73 g/mol
LogP2.08
Rot. Bonds3

About 3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide

3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 64523056) has the molecular formula C13H11ClN6O and a molecular weight of 302.73 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID64523056
Molecular FormulaC13H11ClN6O
Molecular Weight302.73 g/mol
Exact Mass302.07
IUPAC Name3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)Nc2cc(Cl)ccc2-n2cccn2)[nH]n1
InChIInChI=1S/C13H11ClN6O/c14-8-2-3-11(20-5-1-4-16-20)9(6-8)17-13(21)10-7-12(15)19-18-10/h1-7H,(H,17,21)(H3,15,18,19)
InChIKeyQAGKKZKMCVDGFS-UHFFFAOYSA-N
XLogP2.08
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide
CID 103515148
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CID 55993679
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55993544
ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 61062622
(2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide
CID 61179959
3-bromo-N-(5-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide
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N-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide
CID 55993552
2-[2-(5-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569143
2,2,2-trifluoroethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 65173978
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 60927429
N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 60928453
N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60927204

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide (CID 64523056) is 3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)Nc2cc(Cl)ccc2-n2cccn2)[nH]n1.
What is the InChIKey of 3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QAGKKZKMCVDGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6O/c14-8-2-3-11(20-5-1-4-16-20)9(6-8)17-13(21)10-7-12(15)19-18-10/h1-7H,(H,17,21)(H3,15,18,19).
What are the key properties of 3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 302.73 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64523056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).