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

C10H14N4O — CID 79530288

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
SMILESNc1[nH]ncc1CNC(=O)C1CC=CC1
InChIInChI=1S/C10H14N4O/c11-9-8(6-13-14-9)5-12-10(15)7-3-1-2-4-7/h1-2,6-7H,3-5H2,(H,12,15)(H3,11,13,14)
InChIKeyBDMDAUPETAATKD-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.57
Rot. Bonds3

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

N-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide (PubChem CID 79530288) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
PubChem CID79530288
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
SMILESNc1[nH]ncc1CNC(=O)C1CC=CC1
InChIInChI=1S/C10H14N4O/c11-9-8(6-13-14-9)5-12-10(15)7-3-1-2-4-7/h1-2,6-7H,3-5H2,(H,12,15)(H3,11,13,14)
InChIKeyBDMDAUPETAATKD-UHFFFAOYSA-N
XLogP0.57
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766749
N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 79524532
N-[(5-amino-1H-pyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 79529402
N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide
CID 131204421
N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide
CID 79531497
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 79529836
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide
CID 79531500
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide
CID 79529688
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide
CID 79530146
N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 79531339
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide
CID 79530127
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide
CID 114022797

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide (CID 79530288) is N-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide is Nc1[nH]ncc1CNC(=O)C1CC=CC1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is BDMDAUPETAATKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-9-8(6-13-14-9)5-12-10(15)7-3-1-2-4-7/h1-2,6-7H,3-5H2,(H,12,15)(H3,11,13,14).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 206.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 79530288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).