2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid

C14H22N4O3 — CID 107464205

IUPAC2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCc1nn(C)cc1NC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C14H22N4O3/c1-4-9-10(8-18(3)17-9)15-13(21)16-11-6-5-7-14(11,2)12(19)20/h8,11H,4-7H2,1-3H3,(H,19,20)(H2,15,16,21)
InChIKeyGZDNSQNAQBGXSQ-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.75
Rot. Bonds4

About 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid

2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 107464205) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID107464205
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCc1nn(C)cc1NC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C14H22N4O3/c1-4-9-10(8-18(3)17-9)15-13(21)16-11-6-5-7-14(11,2)12(19)20/h8,11H,4-7H2,1-3H3,(H,19,20)(H2,15,16,21)
InChIKeyGZDNSQNAQBGXSQ-UHFFFAOYSA-N
XLogP1.75
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid (CID 107464205) is 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid is CCc1nn(C)cc1NC(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is GZDNSQNAQBGXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-9-10(8-18(3)17-9)15-13(21)16-11-6-5-7-14(11,2)12(19)20/h8,11H,4-7H2,1-3H3,(H,19,20)(H2,15,16,21).
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 294.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 107464205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).