N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide

C7H10N4O — CID 79531497

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cn[nH]c1N
InChIInChI=1S/C7H10N4O/c1-2-6(12)9-3-5-4-10-11-7(5)8/h2,4H,1,3H2,(H,9,12)(H3,8,10,11)
InChIKeyDQJRUENOUZLUNW-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.21
Rot. Bonds3

About N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide (PubChem CID 79531497) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide
PubChem CID79531497
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cn[nH]c1N
InChIInChI=1S/C7H10N4O/c1-2-6(12)9-3-5-4-10-11-7(5)8/h2,4H,1,3H2,(H,9,12)(H3,8,10,11)
InChIKeyDQJRUENOUZLUNW-UHFFFAOYSA-N
XLogP-0.21
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-phenylprop-2-enamide
CID 79530449
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 79529836
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 79529546
N-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 79530288
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide
CID 79529688
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide
CID 114022797
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide
CID 79530127
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide
CID 79530307
N-[(5-amino-1H-pyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 79529402
N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 79531188
1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea
CID 79531349
N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 79531339

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide (CID 79531497) is N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide is C=CC(=O)NCc1cn[nH]c1N.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide?
The InChIKey is DQJRUENOUZLUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-2-6(12)9-3-5-4-10-11-7(5)8/h2,4H,1,3H2,(H,9,12)(H3,8,10,11).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide has a molecular weight of 166.18 g/mol, XLogP of -0.21, 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]prop-2-enamide is sourced from PubChem (CID 79531497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).