3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide

C26H25N5O2 — CID 32947167

IUPAC3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(N2CCCC2)cn1
InChIInChI=1S/C26H25N5O2/c1-33-23-12-6-5-11-21(23)25-22(18-31(29-25)19-9-3-2-4-10-19)26(32)28-24-14-13-20(17-27-24)30-15-7-8-16-30/h2-6,9-14,17-18H,7-8,15-16H2,1H3,(H,27,28,32)
InChIKeyOBPSHOFEYQWCBJ-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.80
Rot. Bonds6

About 3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide

3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide (PubChem CID 32947167) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide
PubChem CID32947167
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(N2CCCC2)cn1
InChIInChI=1S/C26H25N5O2/c1-33-23-12-6-5-11-21(23)25-22(18-31(29-25)19-9-3-2-4-10-19)26(32)28-24-14-13-20(17-27-24)30-15-7-8-16-30/h2-6,9-14,17-18H,7-8,15-16H2,1H3,(H,27,28,32)
InChIKeyOBPSHOFEYQWCBJ-UHFFFAOYSA-N
XLogP4.80
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
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3-(2-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenylpyrazole-4-carboxamide
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3-(2-methoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55954223
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide (CID 32947167) is 3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide is COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(N2CCCC2)cn1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide?
The InChIKey is OBPSHOFEYQWCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-33-23-12-6-5-11-21(23)25-22(18-31(29-25)19-9-3-2-4-10-19)26(32)28-24-14-13-20(17-27-24)30-15-7-8-16-30/h2-6,9-14,17-18H,7-8,15-16H2,1H3,(H,27,28,32).
What are the key properties of 3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide?
3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide is sourced from PubChem (CID 32947167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).