5-[(4-hydroxyphenyl)methylamino]-3-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide

C18H20N6O3 — CID 71765271

IUPAC5-[(4-hydroxyphenyl)methylamino]-3-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(CNc2n[nH]c(NCc3ccc(O)cc3)c2C(N)=O)cn1
InChIInChI=1S/C18H20N6O3/c1-27-14-7-4-12(9-20-14)10-22-18-15(16(19)26)17(23-24-18)21-8-11-2-5-13(25)6-3-11/h2-7,9,25H,8,10H2,1H3,(H2,19,26)(H3,21,22,23,24)
InChIKeyIMMVWOGFIIWERV-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.84
Rot. Bonds8

About 5-[(4-hydroxyphenyl)methylamino]-3-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide

5-[(4-hydroxyphenyl)methylamino]-3-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide (PubChem CID 71765271) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methylamino]-3-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methylamino]-3-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide
PubChem CID71765271
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name5-[(4-hydroxyphenyl)methylamino]-3-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(CNc2n[nH]c(NCc3ccc(O)cc3)c2C(N)=O)cn1
InChIInChI=1S/C18H20N6O3/c1-27-14-7-4-12(9-20-14)10-22-18-15(16(19)26)17(23-24-18)21-8-11-2-5-13(25)6-3-11/h2-7,9,25H,8,10H2,1H3,(H2,19,26)(H3,21,22,23,24)
InChIKeyIMMVWOGFIIWERV-UHFFFAOYSA-N
XLogP1.84
TPSA138.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)methylamino]-3-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(4-hydroxyphenyl)methylamino]-3-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide (CID 71765271) is 5-[(4-hydroxyphenyl)methylamino]-3-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methylamino]-3-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-hydroxyphenyl)methylamino]-3-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide is COc1ccc(CNc2n[nH]c(NCc3ccc(O)cc3)c2C(N)=O)cn1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methylamino]-3-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide?
The InChIKey is IMMVWOGFIIWERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-27-14-7-4-12(9-20-14)10-22-18-15(16(19)26)17(23-24-18)21-8-11-2-5-13(25)6-3-11/h2-7,9,25H,8,10H2,1H3,(H2,19,26)(H3,21,22,23,24).
What are the key properties of 5-[(4-hydroxyphenyl)methylamino]-3-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide?
5-[(4-hydroxyphenyl)methylamino]-3-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 1.84, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methylamino]-3-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71765271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).