N-(1-methylpyrazol-3-yl)prop-2-enamide

C7H9N3O — CID 60810295

IUPACN-(1-methylpyrazol-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccn(C)n1
InChIInChI=1S/C7H9N3O/c1-3-7(11)8-6-4-5-10(2)9-6/h3-5H,1H2,2H3,(H,8,9,11)
InChIKeyAKHQIEUZSMDSTR-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.54
Rot. Bonds2

About N-(1-methylpyrazol-3-yl)prop-2-enamide

N-(1-methylpyrazol-3-yl)prop-2-enamide (PubChem CID 60810295) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)prop-2-enamide
PubChem CID60810295
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC NameN-(1-methylpyrazol-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccn(C)n1
InChIInChI=1S/C7H9N3O/c1-3-7(11)8-6-4-5-10(2)9-6/h3-5H,1H2,2H3,(H,8,9,11)
InChIKeyAKHQIEUZSMDSTR-UHFFFAOYSA-N
XLogP0.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(1-methylpyrazol-3-yl)carbamate
CID 12774707
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
CID 78971987
methyl 4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzoate
CID 8810757
3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide
CID 177229835
4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
(E)-N-(1-methylpyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 16617501
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)prop-2-enamide
CID 51315069
(Z)-3-(1-adamantyl)-N-(1-methylpyrazol-3-yl)but-2-enamide
CID 51126115
2-bromo-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
CID 60810457
1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea
CID 115576603

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)prop-2-enamide (CID 60810295) is N-(1-methylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)prop-2-enamide is C=CC(=O)Nc1ccn(C)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)prop-2-enamide?
The InChIKey is AKHQIEUZSMDSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-3-7(11)8-6-4-5-10(2)9-6/h3-5H,1H2,2H3,(H,8,9,11).
What are the key properties of N-(1-methylpyrazol-3-yl)prop-2-enamide?
N-(1-methylpyrazol-3-yl)prop-2-enamide has a molecular weight of 151.17 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 60810295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).