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

C14H23N3O2 — CID 116631898

IUPAC1-methyl-5-[[methyl-(4-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
SMILESCC1CCC(N(C)Cc2c(C(=O)O)cnn2C)CC1
InChIInChI=1S/C14H23N3O2/c1-10-4-6-11(7-5-10)16(2)9-13-12(14(18)19)8-15-17(13)3/h8,10-11H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyRDHGWYQOLOZQQS-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.13
Rot. Bonds4

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

1-methyl-5-[[methyl-(4-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid (PubChem CID 116631898) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-methyl-5-[[methyl-(4-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[[methyl-(4-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
PubChem CID116631898
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-methyl-5-[[methyl-(4-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
SMILESCC1CCC(N(C)Cc2c(C(=O)O)cnn2C)CC1
InChIInChI=1S/C14H23N3O2/c1-10-4-6-11(7-5-10)16(2)9-13-12(14(18)19)8-15-17(13)3/h8,10-11H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyRDHGWYQOLOZQQS-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-(2-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116631998
5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631752
ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631754
5-[[cyclobutylmethyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116632078
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
1-methyl-5-[[methyl(pentan-3-yl)amino]methyl]pyrazole-4-carboxylic acid
CID 116631806
5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116632340
1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632376
5-[[(2,4-dimethylcyclohexyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631212
1-methyl-5-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632449
1-methyl-5-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazole-4-carboxylic acid
CID 116631987

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[methyl-(4-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[[methyl-(4-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid (CID 116631898) is 1-methyl-5-[[methyl-(4-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[[methyl-(4-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[[methyl-(4-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid is CC1CCC(N(C)Cc2c(C(=O)O)cnn2C)CC1.
What is the InChIKey of 1-methyl-5-[[methyl-(4-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid?
The InChIKey is RDHGWYQOLOZQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-4-6-11(7-5-10)16(2)9-13-12(14(18)19)8-15-17(13)3/h8,10-11H,4-7,9H2,1-3H3,(H,18,19).
What are the key properties of 1-methyl-5-[[methyl-(4-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid?
1-methyl-5-[[methyl-(4-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-(4-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 116631898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).