cis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid

C13H20N4O3 — CID 106320313

IUPACcis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCc1nn(C)cc1NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H20N4O3/c1-3-10-11(7-17(2)16-10)15-13(20)14-9-5-4-8(6-9)12(18)19/h7-9H,3-6H2,1-2H3,(H,18,19)(H2,14,15,20)/t8-,9+/m1/s1
InChIKeyYCWRLVCNONDMFV-BDAKNGLRSA-N
MW280.33 g/mol
LogP1.36
Rot. Bonds4

About cis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106320313) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106320313
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Namecis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCc1nn(C)cc1NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H20N4O3/c1-3-10-11(7-17(2)16-10)15-13(20)14-9-5-4-8(6-9)12(18)19/h7-9H,3-6H2,1-2H3,(H,18,19)(H2,14,15,20)/t8-,9+/m1/s1
InChIKeyYCWRLVCNONDMFV-BDAKNGLRSA-N
XLogP1.36
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 107462239
cis-(1R,3S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320903
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 107464205
N-cyclopropyl-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanamide
CID 104934563
1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 125136371
cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319865
cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319449
3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81289601
1-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 107462266
4-[(4-chloro-1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122016339
N-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 103908575
cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106323996

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 106320313) is cis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid is CCc1nn(C)cc1NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is YCWRLVCNONDMFV-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-10-11(7-17(2)16-10)15-13(20)14-9-5-4-8(6-9)12(18)19/h7-9H,3-6H2,1-2H3,(H,18,19)(H2,14,15,20)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).