5-(3-chloroanilino)-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide

C17H16ClN5O2 — CID 71721644

IUPAC5-(3-chloroanilino)-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Nc1cccc(Cl)c1
InChIInChI=1S/C17H16ClN5O2/c18-11-2-1-3-12(8-11)21-17-14(15(19)25)16(22-23-17)20-9-10-4-6-13(24)7-5-10/h1-8,24H,9H2,(H2,19,25)(H3,20,21,22,23)
InChIKeyAZNBNSKMYOCFMC-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.22
Rot. Bonds6

About 5-(3-chloroanilino)-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide

5-(3-chloroanilino)-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide (PubChem CID 71721644) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 5-(3-chloroanilino)-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
PubChem CID71721644
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name5-(3-chloroanilino)-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Nc1cccc(Cl)c1
InChIInChI=1S/C17H16ClN5O2/c18-11-2-1-3-12(8-11)21-17-14(15(19)25)16(22-23-17)20-9-10-4-6-13(24)7-5-10/h1-8,24H,9H2,(H2,19,25)(H3,20,21,22,23)
InChIKeyAZNBNSKMYOCFMC-UHFFFAOYSA-N
XLogP3.22
TPSA116.06 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide (CID 71721644) is 5-(3-chloroanilino)-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide is NC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Nc1cccc(Cl)c1.
What is the InChIKey of 5-(3-chloroanilino)-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The InChIKey is AZNBNSKMYOCFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c18-11-2-1-3-12(8-11)21-17-14(15(19)25)16(22-23-17)20-9-10-4-6-13(24)7-5-10/h1-8,24H,9H2,(H2,19,25)(H3,20,21,22,23).
What are the key properties of 5-(3-chloroanilino)-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
5-(3-chloroanilino)-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 3.22, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71721644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).