2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid

C14H22N4O3 — CID 64702045

IUPAC2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid
SMILESCC(Cn1cccn1)NC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H22N4O3/c1-11(10-18-8-4-7-15-18)16-13(21)17-14(9-12(19)20)5-2-3-6-14/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyVHDWTUUULYELKP-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.36
Rot. Bonds6

About 2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid

2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid (PubChem CID 64702045) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid
PubChem CID64702045
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid
SMILESCC(Cn1cccn1)NC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H22N4O3/c1-11(10-18-8-4-7-15-18)16-13(21)17-14(9-12(19)20)5-2-3-6-14/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyVHDWTUUULYELKP-UHFFFAOYSA-N
XLogP1.36
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851533
2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid
CID 107142581
1-amino-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119958431
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54951710
1-amino-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 65463788
3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 61460931
N-[(2R)-1-pyrazol-1-ylpropan-2-yl]azetidine-1-carboxamide
CID 94031085
(E)-4-oxo-4-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)but-2-enoic acid
CID 109374295
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea
CID 94180964
1-phenyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]cyclopropane-1-carboxamide
CID 95593407
2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 61460963

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid (CID 64702045) is 2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid is CC(Cn1cccn1)NC(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid?
The InChIKey is VHDWTUUULYELKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-11(10-18-8-4-7-15-18)16-13(21)17-14(9-12(19)20)5-2-3-6-14/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid?
2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64702045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).