[5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid

C17H16N4O2 — CID 137422991

IUPAC[5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid
SMILESCc1cc(NC(=O)O)c(-c2ccccc2)nc1-c1cnn(C)c1
InChIInChI=1S/C17H16N4O2/c1-11-8-14(19-17(22)23)16(12-6-4-3-5-7-12)20-15(11)13-9-18-21(2)10-13/h3-10,19H,1-2H3,(H,22,23)
InChIKeyYZTOXGNKTJJAAO-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.55
Rot. Bonds3

About [5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid

[5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid (PubChem CID 137422991) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is [5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid
PubChem CID137422991
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name[5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid
SMILESCc1cc(NC(=O)O)c(-c2ccccc2)nc1-c1cnn(C)c1
InChIInChI=1S/C17H16N4O2/c1-11-8-14(19-17(22)23)16(12-6-4-3-5-7-12)20-15(11)13-9-18-21(2)10-13/h3-10,19H,1-2H3,(H,22,23)
InChIKeyYZTOXGNKTJJAAO-UHFFFAOYSA-N
XLogP3.55
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[5-methyl-6-(6-methyl-3-pyridinyl)-2-phenyl-3-pyridinyl]urea
CID 137422971
1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea
CID 5111829
4-(1-methylpyrazol-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
CID 130430958
N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019
6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine
CID 118493225
5-methyl-N-(1-methylpyrazol-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 32606809
N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 155597300
2-[7-(1-methylpyrazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]butanoic acid
CID 151437228
1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid
CID 68748254
methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate
CID 110477766
4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine
CID 43557664

Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid?
The IUPAC name of [5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid (CID 137422991) is [5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid.
What is the SMILES notation for [5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid?
The canonical SMILES for [5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid is Cc1cc(NC(=O)O)c(-c2ccccc2)nc1-c1cnn(C)c1.
What is the InChIKey of [5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid?
The InChIKey is YZTOXGNKTJJAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-8-14(19-17(22)23)16(12-6-4-3-5-7-12)20-15(11)13-9-18-21(2)10-13/h3-10,19H,1-2H3,(H,22,23).
What are the key properties of [5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid?
[5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid has a molecular weight of 308.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid is sourced from PubChem (CID 137422991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).