N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide

C11H15N3O — CID 64766749

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1CC=CC1
InChIInChI=1S/C11H15N3O/c1-8-10(7-13-14-8)6-12-11(15)9-4-2-3-5-9/h2-3,7,9H,4-6H2,1H3,(H,12,15)(H,13,14)
InChIKeyQYUMBBIZIMTDLC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.30
Rot. Bonds3

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide (PubChem CID 64766749) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
PubChem CID64766749
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1CC=CC1
InChIInChI=1S/C11H15N3O/c1-8-10(7-13-14-8)6-12-11(15)9-4-2-3-5-9/h2-3,7,9H,4-6H2,1H3,(H,12,15)(H,13,14)
InChIKeyQYUMBBIZIMTDLC-UHFFFAOYSA-N
XLogP1.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 79530288
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 106739536
(1S)-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 136580628
(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 93431387
(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 103849971
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61021789
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 61022270
(5S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 129490170
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095591
N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide
CID 112729713
2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 49491563
N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide
CID 131204421

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide (CID 64766749) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide is Cc1[nH]ncc1CNC(=O)C1CC=CC1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is QYUMBBIZIMTDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-10(7-13-14-8)6-12-11(15)9-4-2-3-5-9/h2-3,7,9H,4-6H2,1H3,(H,12,15)(H,13,14).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 64766749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).