4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid

C14H21N3O3 — CID 114390455

IUPAC4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1nn(C)c(C)c1NC(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-7-5-10(11(6-7)14(19)20)13(18)15-12-8(2)16-17(4)9(12)3/h7,10-11H,5-6H2,1-4H3,(H,15,18)(H,19,20)
InChIKeyHIWYCAIQDFCJAP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.72
Rot. Bonds3

About 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid

4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114390455) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114390455
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1nn(C)c(C)c1NC(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-7-5-10(11(6-7)14(19)20)13(18)15-12-8(2)16-17(4)9(12)3/h7,10-11H,5-6H2,1-4H3,(H,15,18)(H,19,20)
InChIKeyHIWYCAIQDFCJAP-UHFFFAOYSA-N
XLogP1.72
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944490
4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 61254029
2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122146158
2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391107
3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 55146550
4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390370
4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 30663515
4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391221
4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114391404
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106104133
2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 112718318

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114390455) is 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid is Cc1nn(C)c(C)c1NC(=O)C1CC(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is HIWYCAIQDFCJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-7-5-10(11(6-7)14(19)20)13(18)15-12-8(2)16-17(4)9(12)3/h7,10-11H,5-6H2,1-4H3,(H,15,18)(H,19,20).
What are the key properties of 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid?
4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).