1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid

C14H22N4O3 — CID 82765529

IUPAC1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)n1cc(NC(=O)NC2CCCC2(C)C(=O)O)cn1
InChIInChI=1S/C14H22N4O3/c1-9(2)18-8-10(7-15-18)16-13(21)17-11-5-4-6-14(11,3)12(19)20/h7-9,11H,4-6H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyKOMBZRKOEZJOTL-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.23
Rot. Bonds4

About 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid

1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 82765529) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID82765529
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)n1cc(NC(=O)NC2CCCC2(C)C(=O)O)cn1
InChIInChI=1S/C14H22N4O3/c1-9(2)18-8-10(7-15-18)16-13(21)17-11-5-4-6-14(11,3)12(19)20/h7-9,11H,4-6H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyKOMBZRKOEZJOTL-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 82765529) is 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid is CC(C)n1cc(NC(=O)NC2CCCC2(C)C(=O)O)cn1.
What is the InChIKey of 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is KOMBZRKOEZJOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9(2)18-8-10(7-15-18)16-13(21)17-11-5-4-6-14(11,3)12(19)20/h7-9,11H,4-6H2,1-3H3,(H,19,20)(H2,16,17,21).
What are the key properties of 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 294.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82765529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).