1-[3-(hydroxymethyl)-2-methyl-4-pyridinyl]-3-pyridin-3-ylpyrazole-4-carboxamide

C16H15N5O2 — CID 145054336

IUPAC1-[3-(hydroxymethyl)-2-methyl-4-pyridinyl]-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCc1nccc(-n2cc(C(N)=O)c(-c3cccnc3)n2)c1CO
InChIInChI=1S/C16H15N5O2/c1-10-13(9-22)14(4-6-19-10)21-8-12(16(17)23)15(20-21)11-3-2-5-18-7-11/h2-8,22H,9H2,1H3,(H2,17,23)
InChIKeySLFLTFYMAIMNBA-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.23
Rot. Bonds4

About 1-[3-(hydroxymethyl)-2-methyl-4-pyridinyl]-3-pyridin-3-ylpyrazole-4-carboxamide

1-[3-(hydroxymethyl)-2-methyl-4-pyridinyl]-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 145054336) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-2-methyl-4-pyridinyl]-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-2-methyl-4-pyridinyl]-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID145054336
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name1-[3-(hydroxymethyl)-2-methyl-4-pyridinyl]-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCc1nccc(-n2cc(C(N)=O)c(-c3cccnc3)n2)c1CO
InChIInChI=1S/C16H15N5O2/c1-10-13(9-22)14(4-6-19-10)21-8-12(16(17)23)15(20-21)11-3-2-5-18-7-11/h2-8,22H,9H2,1H3,(H2,17,23)
InChIKeySLFLTFYMAIMNBA-UHFFFAOYSA-N
XLogP1.23
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid
CID 43324353
3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
CID 43531851
1-[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-3-(hydroxymethyl)-4-pyridinyl]-3-phenylpyrazole-4-carboxamide
CID 121263697
1-[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-3-(hydroxymethyl)-4-pyridinyl]-3-(5-methylsulfonyl-3-pyridinyl)pyrazole-4-carboxamide
CID 121263682
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
CID 51218944
1-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid
CID 61266867
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 7535671
3-[4-(aminomethyl)phenyl]-1-[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-3-(hydroxymethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 121263700
3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2360724
1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde
CID 43324141

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-2-methyl-4-pyridinyl]-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 1-[3-(hydroxymethyl)-2-methyl-4-pyridinyl]-3-pyridin-3-ylpyrazole-4-carboxamide (CID 145054336) is 1-[3-(hydroxymethyl)-2-methyl-4-pyridinyl]-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[3-(hydroxymethyl)-2-methyl-4-pyridinyl]-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-[3-(hydroxymethyl)-2-methyl-4-pyridinyl]-3-pyridin-3-ylpyrazole-4-carboxamide is Cc1nccc(-n2cc(C(N)=O)c(-c3cccnc3)n2)c1CO.
What is the InChIKey of 1-[3-(hydroxymethyl)-2-methyl-4-pyridinyl]-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is SLFLTFYMAIMNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10-13(9-22)14(4-6-19-10)21-8-12(16(17)23)15(20-21)11-3-2-5-18-7-11/h2-8,22H,9H2,1H3,(H2,17,23).
What are the key properties of 1-[3-(hydroxymethyl)-2-methyl-4-pyridinyl]-3-pyridin-3-ylpyrazole-4-carboxamide?
1-[3-(hydroxymethyl)-2-methyl-4-pyridinyl]-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-2-methyl-4-pyridinyl]-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 145054336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).