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

C14H21N3O3 — CID 3361482

IUPAC2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(Cc1cnn(C)c1)C(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-16(8-10-7-15-17(2)9-10)13(18)11-5-3-4-6-12(11)14(19)20/h7,9,11-12H,3-6,8H2,1-2H3,(H,19,20)
InChIKeyFRCLTZIMAFGGSH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.27
Rot. Bonds4

About 2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid

2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 3361482) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID3361482
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(Cc1cnn(C)c1)C(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-16(8-10-7-15-17(2)9-10)13(18)11-5-3-4-6-12(11)14(19)20/h7,9,11-12H,3-6,8H2,1-2H3,(H,19,20)
InChIKeyFRCLTZIMAFGGSH-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63784679
cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114091934
cis-(1S,2R)-2-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114092383
2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 19616909
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119834044
1-benzyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 154735668
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 61440246
(3R)-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 94099738
4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid
CID 66240753
2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 64618242
2-[carboxymethyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63644606

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 3361482) is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid is CN(Cc1cnn(C)c1)C(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is FRCLTZIMAFGGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16(8-10-7-15-17(2)9-10)13(18)11-5-3-4-6-12(11)14(19)20/h7,9,11-12H,3-6,8H2,1-2H3,(H,19,20).
What are the key properties of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid?
2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 3361482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).