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

C15H25N3O2 — CID 116630994

IUPAC1-methyl-5-[[(4-propylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
SMILESCCCC1CCC(NCc2c(C(=O)O)cnn2C)CC1
InChIInChI=1S/C15H25N3O2/c1-3-4-11-5-7-12(8-6-11)16-10-14-13(15(19)20)9-17-18(14)2/h9,11-12,16H,3-8,10H2,1-2H3,(H,19,20)
InChIKeyMOPVSRUEAJMEJI-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.57
Rot. Bonds6

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

1-methyl-5-[[(4-propylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid (PubChem CID 116630994) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-methyl-5-[[(4-propylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[[(4-propylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
PubChem CID116630994
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-methyl-5-[[(4-propylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
SMILESCCCC1CCC(NCc2c(C(=O)O)cnn2C)CC1
InChIInChI=1S/C15H25N3O2/c1-3-4-11-5-7-12(8-6-11)16-10-14-13(15(19)20)9-17-18(14)2/h9,11-12,16H,3-8,10H2,1-2H3,(H,19,20)
InChIKeyMOPVSRUEAJMEJI-UHFFFAOYSA-N
XLogP2.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-5-[[(4-propylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]pyrazole-4-carboxylic acid
CID 116631301
5-[(2-cyclohexylethylamino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630859
5-[[(2,4-dimethylcyclohexyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631212
5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631025
5-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 106361012
4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid
CID 62215760
5-[[[(1S)-1-cycloheptylethyl]amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 104891450
5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
5-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 106190175
5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine
CID 117217706
5-[(hexan-3-ylamino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631075
1-methyl-5-[(3-propoxypropylamino)methyl]pyrazole-4-carboxylic acid
CID 116631470

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[(4-propylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[[(4-propylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid (CID 116630994) is 1-methyl-5-[[(4-propylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[[(4-propylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[[(4-propylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid is CCCC1CCC(NCc2c(C(=O)O)cnn2C)CC1.
What is the InChIKey of 1-methyl-5-[[(4-propylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid?
The InChIKey is MOPVSRUEAJMEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-4-11-5-7-12(8-6-11)16-10-14-13(15(19)20)9-17-18(14)2/h9,11-12,16H,3-8,10H2,1-2H3,(H,19,20).
What are the key properties of 1-methyl-5-[[(4-propylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid?
1-methyl-5-[[(4-propylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[(4-propylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 116630994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).