1-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid

C14H23N3O2 — CID 116631998

IUPAC1-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
SMILESCC1CCCCC1N(C)Cc1c(C(=O)O)cnn1C
InChIInChI=1S/C14H23N3O2/c1-10-6-4-5-7-12(10)16(2)9-13-11(14(18)19)8-15-17(13)3/h8,10,12H,4-7,9H2,1-3H3,(H,18,19)
InChIKeySDHIJVYDRDHKDZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.13
Rot. Bonds4

About 1-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid

1-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid (PubChem CID 116631998) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
PubChem CID116631998
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
SMILESCC1CCCCC1N(C)Cc1c(C(=O)O)cnn1C
InChIInChI=1S/C14H23N3O2/c1-10-6-4-5-7-12(10)16(2)9-13-11(14(18)19)8-15-17(13)3/h8,10,12H,4-7,9H2,1-3H3,(H,18,19)
InChIKeySDHIJVYDRDHKDZ-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-[[methyl-(4-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116631898
5-[[cyclobutylmethyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116632078
5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631752
2-fluoro-5-[[methyl-(2-methylcyclohexyl)amino]methyl]benzoic acid
CID 107880749
N,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide
CID 94813213
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116632032
5-[[3-(dimethylamino)piperidin-1-yl]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116632202
1-methyl-5-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632447
5-(cycloheptyloxymethyl)-1-methylpyrazole-4-carboxylic acid
CID 116629723
ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631754
1-methyl-5-[[methyl(pentan-3-yl)amino]methyl]pyrazole-4-carboxylic acid
CID 116631806
1-methyl-5-[[methyl-[3-(methylamino)propyl]amino]methyl]pyrazole-4-carboxylic acid
CID 116632250

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid (CID 116631998) is 1-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid is CC1CCCCC1N(C)Cc1c(C(=O)O)cnn1C.
What is the InChIKey of 1-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid?
The InChIKey is SDHIJVYDRDHKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-6-4-5-7-12(10)16(2)9-13-11(14(18)19)8-15-17(13)3/h8,10,12H,4-7,9H2,1-3H3,(H,18,19).
What are the key properties of 1-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid?
1-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 116631998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).