3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid

C19H24N4O3 — CID 120549365

IUPAC3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(C)n(-c2ccc(CNC(=O)C3CCCC(C(=O)O)C3)cn2)n1
InChIInChI=1S/C19H24N4O3/c1-12-8-13(2)23(22-12)17-7-6-14(10-20-17)11-21-18(24)15-4-3-5-16(9-15)19(25)26/h6-8,10,15-16H,3-5,9,11H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyAPNJLRNXAJNKJS-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.39
Rot. Bonds5

About 3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid

3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120549365) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120549365
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(C)n(-c2ccc(CNC(=O)C3CCCC(C(=O)O)C3)cn2)n1
InChIInChI=1S/C19H24N4O3/c1-12-8-13(2)23(22-12)17-7-6-14(10-20-17)11-21-18(24)15-4-3-5-16(9-15)19(25)26/h6-8,10,15-16H,3-5,9,11H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyAPNJLRNXAJNKJS-UHFFFAOYSA-N
XLogP2.39
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848561
3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55968479
1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea
CID 51084393
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128779
1-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848586
trans-(1S,3S)-3-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552917
1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
CID 110896107
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119848570
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78890715
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 94097221
1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55969112
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(4-iodophenyl)methyl]piperidine-3-carboxamide
CID 90514647

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120549365) is 3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid is Cc1cc(C)n(-c2ccc(CNC(=O)C3CCCC(C(=O)O)C3)cn2)n1.
What is the InChIKey of 3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is APNJLRNXAJNKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12-8-13(2)23(22-12)17-7-6-14(10-20-17)11-21-18(24)15-4-3-5-16(9-15)19(25)26/h6-8,10,15-16H,3-5,9,11H2,1-2H3,(H,21,24)(H,25,26).
What are the key properties of 3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 356.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120549365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).