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

C20H19N7O2 — CID 71765596

IUPAC3-[(4-hydroxyphenyl)methylamino]-5-(4-imidazol-1-ylanilino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H19N7O2/c21-18(29)17-19(23-11-13-1-7-16(28)8-2-13)25-26-20(17)24-14-3-5-15(6-4-14)27-10-9-22-12-27/h1-10,12,28H,11H2,(H2,21,29)(H3,23,24,25,26)
InChIKeyVSDASJRFYLJSQF-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.76
Rot. Bonds7

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

3-[(4-hydroxyphenyl)methylamino]-5-(4-imidazol-1-ylanilino)-1H-pyrazole-4-carboxamide (PubChem CID 71765596) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methylamino]-5-(4-imidazol-1-ylanilino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methylamino]-5-(4-imidazol-1-ylanilino)-1H-pyrazole-4-carboxamide
PubChem CID71765596
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name3-[(4-hydroxyphenyl)methylamino]-5-(4-imidazol-1-ylanilino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H19N7O2/c21-18(29)17-19(23-11-13-1-7-16(28)8-2-13)25-26-20(17)24-14-3-5-15(6-4-14)27-10-9-22-12-27/h1-10,12,28H,11H2,(H2,21,29)(H3,23,24,25,26)
InChIKeyVSDASJRFYLJSQF-UHFFFAOYSA-N
XLogP2.76
TPSA133.88 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methylamino]-5-(4-imidazol-1-ylanilino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(4-hydroxyphenyl)methylamino]-5-(4-imidazol-1-ylanilino)-1H-pyrazole-4-carboxamide (CID 71765596) is 3-[(4-hydroxyphenyl)methylamino]-5-(4-imidazol-1-ylanilino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methylamino]-5-(4-imidazol-1-ylanilino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-hydroxyphenyl)methylamino]-5-(4-imidazol-1-ylanilino)-1H-pyrazole-4-carboxamide is NC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methylamino]-5-(4-imidazol-1-ylanilino)-1H-pyrazole-4-carboxamide?
The InChIKey is VSDASJRFYLJSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c21-18(29)17-19(23-11-13-1-7-16(28)8-2-13)25-26-20(17)24-14-3-5-15(6-4-14)27-10-9-22-12-27/h1-10,12,28H,11H2,(H2,21,29)(H3,23,24,25,26).
What are the key properties of 3-[(4-hydroxyphenyl)methylamino]-5-(4-imidazol-1-ylanilino)-1H-pyrazole-4-carboxamide?
3-[(4-hydroxyphenyl)methylamino]-5-(4-imidazol-1-ylanilino)-1H-pyrazole-4-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.76, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methylamino]-5-(4-imidazol-1-ylanilino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71765596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).