2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid

C11H15N3O3 — CID 107462239

IUPAC2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCc1nn(C)cc1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C11H15N3O3/c1-3-8-9(5-14(2)13-8)12-10(15)6-4-7(6)11(16)17/h5-7H,3-4H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyMVSFLFKSYXTWSW-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.64
Rot. Bonds4

About 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 107462239) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID107462239
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCc1nn(C)cc1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C11H15N3O3/c1-3-8-9(5-14(2)13-8)12-10(15)6-4-7(6)11(16)17/h5-7H,3-4H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyMVSFLFKSYXTWSW-UHFFFAOYSA-N
XLogP0.64
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320313
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide
CID 107463151
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methylpiperidine-2-carboxamide
CID 107463362
N-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 103908575
4-N-(3-ethyl-1-methylpyrazol-4-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 154781611
N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide
CID 138992151
6-[(1,3-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 19620255
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 107463267
N-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dimethylmorpholine-4-carboxamide
CID 84597782
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-3,3-dimethylbutanoic acid
CID 107464409
(3-ethyl-1-methylpyrazol-4-yl)thiourea
CID 107462555
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
CID 107463044

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 107462239) is 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid is CCc1nn(C)cc1NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is MVSFLFKSYXTWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-8-9(5-14(2)13-8)12-10(15)6-4-7(6)11(16)17/h5-7H,3-4H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 107462239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).