3-[(4-hydroxy-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide

C17H18N6O3 — CID 71765561

IUPAC3-[(4-hydroxy-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
SMILESCOc1cc(CNc2n[nH]c(Nc3cccnc3)c2C(N)=O)ccc1O
InChIInChI=1S/C17H18N6O3/c1-26-13-7-10(4-5-12(13)24)8-20-16-14(15(18)25)17(23-22-16)21-11-3-2-6-19-9-11/h2-7,9,24H,8H2,1H3,(H2,18,25)(H3,20,21,22,23)
InChIKeyQFVFTTOLAADVKY-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.97
Rot. Bonds7

About 3-[(4-hydroxy-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide

3-[(4-hydroxy-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide (PubChem CID 71765561) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 3-[(4-hydroxy-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-hydroxy-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
PubChem CID71765561
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name3-[(4-hydroxy-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
SMILESCOc1cc(CNc2n[nH]c(Nc3cccnc3)c2C(N)=O)ccc1O
InChIInChI=1S/C17H18N6O3/c1-26-13-7-10(4-5-12(13)24)8-20-16-14(15(18)25)17(23-22-16)21-11-3-2-6-19-9-11/h2-7,9,24H,8H2,1H3,(H2,18,25)(H3,20,21,22,23)
InChIKeyQFVFTTOLAADVKY-UHFFFAOYSA-N
XLogP1.97
TPSA138.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(4-hydroxy-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide (CID 71765561) is 3-[(4-hydroxy-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-hydroxy-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-hydroxy-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide is COc1cc(CNc2n[nH]c(Nc3cccnc3)c2C(N)=O)ccc1O.
What is the InChIKey of 3-[(4-hydroxy-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is QFVFTTOLAADVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-26-13-7-10(4-5-12(13)24)8-20-16-14(15(18)25)17(23-22-16)21-11-3-2-6-19-9-11/h2-7,9,24H,8H2,1H3,(H2,18,25)(H3,20,21,22,23).
What are the key properties of 3-[(4-hydroxy-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
3-[(4-hydroxy-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 1.97, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71765561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).