1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine

C8H13N3 — CID 79771007

IUPAC1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine
SMILESC=C(C)CNc1cnn(C)c1
InChIInChI=1S/C8H13N3/c1-7(2)4-9-8-5-10-11(3)6-8/h5-6,9H,1,4H2,2-3H3
InChIKeyMLMUQRVMJXMPNG-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.41
Rot. Bonds3

About 1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine

1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine (PubChem CID 79771007) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine
PubChem CID79771007
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine
SMILESC=C(C)CNc1cnn(C)c1
InChIInChI=1S/C8H13N3/c1-7(2)4-9-8-5-10-11(3)6-8/h5-6,9H,1,4H2,2-3H3
InChIKeyMLMUQRVMJXMPNG-UHFFFAOYSA-N
XLogP1.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 96705490
2-[(1-methylpyrazol-4-yl)amino]-1-morpholin-4-ylethanone
CID 79778249
N-cyclopropyl-N-methyl-2-[(1-methylpyrazol-4-yl)amino]acetamide
CID 79770399
1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114616511
6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol
CID 107703485
3-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79770849
2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol
CID 114493356
N-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine
CID 130614621
2-anilino-N-(1-methylpyrazol-4-yl)acetamide
CID 54927465
1-methyl-N-[(1-methylcyclopentyl)methyl]pyrazol-4-amine
CID 130578038
methyl 2-methyl-4-[(1-methylpyrazol-4-yl)amino]but-2-enoate
CID 103256778
5-cyclopropyl-1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine
CID 130685297

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine?
The IUPAC name of 1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine (CID 79771007) is 1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine is C=C(C)CNc1cnn(C)c1.
What is the InChIKey of 1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine?
The InChIKey is MLMUQRVMJXMPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-7(2)4-9-8-5-10-11(3)6-8/h5-6,9H,1,4H2,2-3H3.
What are the key properties of 1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine?
1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine has a molecular weight of 151.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine is sourced from PubChem (CID 79771007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).