4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid

C14H23N3O2 — CID 79532822

IUPAC4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(NCC1CCC(C(=O)O)CC1)c1cnn(C)c1
InChIInChI=1S/C14H23N3O2/c1-10(13-8-16-17(2)9-13)15-7-11-3-5-12(6-4-11)14(18)19/h8-12,15H,3-7H2,1-2H3,(H,18,19)
InChIKeyJJWFOIHAPTWGDR-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.96
Rot. Bonds5

About 4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid

4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79532822) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79532822
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(NCC1CCC(C(=O)O)CC1)c1cnn(C)c1
InChIInChI=1S/C14H23N3O2/c1-10(13-8-16-17(2)9-13)15-7-11-3-5-12(6-4-11)14(18)19/h8-12,15H,3-7H2,1-2H3,(H,18,19)
InChIKeyJJWFOIHAPTWGDR-UHFFFAOYSA-N
XLogP1.96
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-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

2-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64927227
2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61055041
4-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106468068
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 75441559
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79531995
2-acetamido-3-[1-(1-methylpyrazol-4-yl)ethylamino]propanoic acid
CID 114286336
cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288981
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate
CID 103788232
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 62693064
N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 115713690

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid (CID 79532822) is 4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid is CC(NCC1CCC(C(=O)O)CC1)c1cnn(C)c1.
What is the InChIKey of 4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is JJWFOIHAPTWGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(13-8-16-17(2)9-13)15-7-11-3-5-12(6-4-11)14(18)19/h8-12,15H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79532822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).