cis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid

C15H21N3O3 — CID 106319981

IUPACcis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1nn(C)c(C)c1/C=C/C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c1-9-13(10(2)18(3)17-9)6-7-14(19)16-12-5-4-11(8-12)15(20)21/h6-7,11-12H,4-5,8H2,1-3H3,(H,16,19)(H,20,21)/b7-6+/t11-,12+/m1/s1
InChIKeyFCPDLIWWQSFQPS-JIVBQCDMSA-N
MW291.35 g/mol
LogP1.42
Rot. Bonds4

About cis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106319981) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106319981
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namecis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1nn(C)c(C)c1/C=C/C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c1-9-13(10(2)18(3)17-9)6-7-14(19)16-12-5-4-11(8-12)15(20)21/h6-7,11-12H,4-5,8H2,1-3H3,(H,16,19)(H,20,21)/b7-6+/t11-,12+/m1/s1
InChIKeyFCPDLIWWQSFQPS-JIVBQCDMSA-N
XLogP1.42
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 114550050
N-(3-hydroxycyclobutyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 77104868
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031336
(E)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 38210639
N-[(2-hydroxycyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 77050229
2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]acetic acid
CID 43354360
(2R)-2-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoylamino]propanoic acid
CID 78972942
3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63043268
3-[3-(2-methylphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
CID 77109183
4-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 76951678
3-(3-phenylprop-2-enoylamino)cyclopentane-1-carboxylic acid
CID 77110063
N-(1,3-dihydroxypropan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 77064785

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid (CID 106319981) is cis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid is Cc1nn(C)c(C)c1/C=C/C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is FCPDLIWWQSFQPS-JIVBQCDMSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9-13(10(2)18(3)17-9)6-7-14(19)16-12-5-4-11(8-12)15(20)21/h6-7,11-12H,4-5,8H2,1-3H3,(H,16,19)(H,20,21)/b7-6+/t11-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).