(E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

C15H23N3O — CID 114550050

IUPAC(E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
SMILESCc1nn(C)c(C)c1/C=C/C(=O)NC1CCC(C)C1
InChIInChI=1S/C15H23N3O/c1-10-5-6-13(9-10)16-15(19)8-7-14-11(2)17-18(4)12(14)3/h7-8,10,13H,5-6,9H2,1-4H3,(H,16,19)/b8-7+
InChIKeyZSVZTIPLESNRIP-BQYQJAHWSA-N
MW261.37 g/mol
LogP2.35
Rot. Bonds3

About (E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

(E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide (PubChem CID 114550050) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
PubChem CID114550050
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
SMILESCc1nn(C)c(C)c1/C=C/C(=O)NC1CCC(C)C1
InChIInChI=1S/C15H23N3O/c1-10-5-6-13(9-10)16-15(19)8-7-14-11(2)17-18(4)12(14)3/h7-8,10,13H,5-6,9H2,1-4H3,(H,16,19)/b8-7+
InChIKeyZSVZTIPLESNRIP-BQYQJAHWSA-N
XLogP2.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid
CID 106319981
N-(3-hydroxycyclobutyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 77104868
N-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 76941637
(E)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 38210639
(E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 114549744
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
N-(1,3-dihydroxypropan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 77064785
[4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate
CID 75407115
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate
CID 8957185
(E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 14967663

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide (CID 114550050) is (E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide is Cc1nn(C)c(C)c1/C=C/C(=O)NC1CCC(C)C1.
What is the InChIKey of (E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is ZSVZTIPLESNRIP-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-5-6-13(9-10)16-15(19)8-7-14-11(2)17-18(4)12(14)3/h7-8,10,13H,5-6,9H2,1-4H3,(H,16,19)/b8-7+.
What are the key properties of (E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
(E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 261.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 114550050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).