(E)-3-(1,5-dimethylpyrazol-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide

C14H21N3O2 — CID 110008470

IUPAC(E)-3-(1,5-dimethylpyrazol-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
SMILESCc1c(/C=C/C(=O)NC2(CO)CCCC2)cnn1C
InChIInChI=1S/C14H21N3O2/c1-11-12(9-15-17(11)2)5-6-13(19)16-14(10-18)7-3-4-8-14/h5-6,9,18H,3-4,7-8,10H2,1-2H3,(H,16,19)/b6-5+
InChIKeyYAJFKQGLUYHKDR-AATRIKPKSA-N
MW263.34 g/mol
LogP1.16
Rot. Bonds4

About (E)-3-(1,5-dimethylpyrazol-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide

(E)-3-(1,5-dimethylpyrazol-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide (PubChem CID 110008470) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (E)-3-(1,5-dimethylpyrazol-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,5-dimethylpyrazol-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
PubChem CID110008470
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(E)-3-(1,5-dimethylpyrazol-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
SMILESCc1c(/C=C/C(=O)NC2(CO)CCCC2)cnn1C
InChIInChI=1S/C14H21N3O2/c1-11-12(9-15-17(11)2)5-6-13(19)16-14(10-18)7-3-4-8-14/h5-6,9,18H,3-4,7-8,10H2,1-2H3,(H,16,19)/b6-5+
InChIKeyYAJFKQGLUYHKDR-AATRIKPKSA-N
XLogP1.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.16
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,5-dimethylpyrazol-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide?
The IUPAC name of (E)-3-(1,5-dimethylpyrazol-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide (CID 110008470) is (E)-3-(1,5-dimethylpyrazol-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1,5-dimethylpyrazol-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1,5-dimethylpyrazol-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide is Cc1c(/C=C/C(=O)NC2(CO)CCCC2)cnn1C.
What is the InChIKey of (E)-3-(1,5-dimethylpyrazol-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide?
The InChIKey is YAJFKQGLUYHKDR-AATRIKPKSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-12(9-15-17(11)2)5-6-13(19)16-14(10-18)7-3-4-8-14/h5-6,9,18H,3-4,7-8,10H2,1-2H3,(H,16,19)/b6-5+.
What are the key properties of (E)-3-(1,5-dimethylpyrazol-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide?
(E)-3-(1,5-dimethylpyrazol-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide has a molecular weight of 263.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,5-dimethylpyrazol-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide is sourced from PubChem (CID 110008470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).