N-prop-2-enyl-1H-pyrazole-4-carboxamide

C7H9N3O — CID 43582248

IUPACN-prop-2-enyl-1H-pyrazole-4-carboxamide
SMILESC=CCNC(=O)c1cn[nH]c1
InChIInChI=1S/C7H9N3O/c1-2-3-8-7(11)6-4-9-10-5-6/h2,4-5H,1,3H2,(H,8,11)(H,9,10)
InChIKeyKNXLVRQEEWQGKN-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.33
Rot. Bonds3

About N-prop-2-enyl-1H-pyrazole-4-carboxamide

N-prop-2-enyl-1H-pyrazole-4-carboxamide (PubChem CID 43582248) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is N-prop-2-enyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-1H-pyrazole-4-carboxamide
PubChem CID43582248
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC NameN-prop-2-enyl-1H-pyrazole-4-carboxamide
SMILESC=CCNC(=O)c1cn[nH]c1
InChIInChI=1S/C7H9N3O/c1-2-3-8-7(11)6-4-9-10-5-6/h2,4-5H,1,3H2,(H,8,11)(H,9,10)
InChIKeyKNXLVRQEEWQGKN-UHFFFAOYSA-N
XLogP0.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-prop-2-enyl-1H-pyrazole-4-carboxamide (CID 43582248) is N-prop-2-enyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-1H-pyrazole-4-carboxamide is C=CCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-prop-2-enyl-1H-pyrazole-4-carboxamide?
The InChIKey is KNXLVRQEEWQGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-3-8-7(11)6-4-9-10-5-6/h2,4-5H,1,3H2,(H,8,11)(H,9,10).
What are the key properties of N-prop-2-enyl-1H-pyrazole-4-carboxamide?
N-prop-2-enyl-1H-pyrazole-4-carboxamide has a molecular weight of 151.17 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).