5-(3-chloroanilino)-3-(1H-pyrrol-2-ylmethylamino)-1H-pyrazole-4-carboxamide

C15H15ClN6O — CID 71765595

IUPAC5-(3-chloroanilino)-3-(1H-pyrrol-2-ylmethylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc[nH]2)n[nH]c1Nc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN6O/c16-9-3-1-4-10(7-9)20-15-12(13(17)23)14(21-22-15)19-8-11-5-2-6-18-11/h1-7,18H,8H2,(H2,17,23)(H3,19,20,21,22)
InChIKeyRSHFAOOQSVKACU-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.85
Rot. Bonds6

About 5-(3-chloroanilino)-3-(1H-pyrrol-2-ylmethylamino)-1H-pyrazole-4-carboxamide

5-(3-chloroanilino)-3-(1H-pyrrol-2-ylmethylamino)-1H-pyrazole-4-carboxamide (PubChem CID 71765595) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is 5-(3-chloroanilino)-3-(1H-pyrrol-2-ylmethylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-3-(1H-pyrrol-2-ylmethylamino)-1H-pyrazole-4-carboxamide
PubChem CID71765595
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC Name5-(3-chloroanilino)-3-(1H-pyrrol-2-ylmethylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc[nH]2)n[nH]c1Nc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN6O/c16-9-3-1-4-10(7-9)20-15-12(13(17)23)14(21-22-15)19-8-11-5-2-6-18-11/h1-7,18H,8H2,(H2,17,23)(H3,19,20,21,22)
InChIKeyRSHFAOOQSVKACU-UHFFFAOYSA-N
XLogP2.85
TPSA111.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloroanilino)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide
CID 71765444
5-(3-chloroanilino)-3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide
CID 71765484
5-(4-chloroanilino)-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide
CID 136621793
5-(3-chloroanilino)-3-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 136619558
5-(3-chloroanilino)-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 136621809
5-(3-chloroanilino)-3-[(4-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 86701911
ethyl 3-(3-chloroanilino)-5-methyl-1H-pyrazole-4-carboxylate
CID 14500687
3-[(4-hydroxyphenyl)methylamino]-5-[4-[(2-methylbenzoyl)amino]anilino]-1H-pyrazole-4-carboxamide
CID 145112264
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide
CID 121410239
2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethylurea
CID 57098049
3-[(4-hydroxy-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
CID 71765561
5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3-nitrophenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 161419116

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-3-(1H-pyrrol-2-ylmethylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-3-(1H-pyrrol-2-ylmethylamino)-1H-pyrazole-4-carboxamide (CID 71765595) is 5-(3-chloroanilino)-3-(1H-pyrrol-2-ylmethylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-3-(1H-pyrrol-2-ylmethylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-3-(1H-pyrrol-2-ylmethylamino)-1H-pyrazole-4-carboxamide is NC(=O)c1c(NCc2ccc[nH]2)n[nH]c1Nc1cccc(Cl)c1.
What is the InChIKey of 5-(3-chloroanilino)-3-(1H-pyrrol-2-ylmethylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is RSHFAOOQSVKACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O/c16-9-3-1-4-10(7-9)20-15-12(13(17)23)14(21-22-15)19-8-11-5-2-6-18-11/h1-7,18H,8H2,(H2,17,23)(H3,19,20,21,22).
What are the key properties of 5-(3-chloroanilino)-3-(1H-pyrrol-2-ylmethylamino)-1H-pyrazole-4-carboxamide?
5-(3-chloroanilino)-3-(1H-pyrrol-2-ylmethylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 330.78 g/mol, XLogP of 2.85, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-3-(1H-pyrrol-2-ylmethylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71765595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).