N-(1-cyclopropylpent-4-enyl)-2-methylpyrazol-3-amine

C12H19N3 — CID 115921218

IUPACN-(1-cyclopropylpent-4-enyl)-2-methylpyrazol-3-amine
SMILESC=CCCC(Nc1ccnn1C)C1CC1
InChIInChI=1S/C12H19N3/c1-3-4-5-11(10-6-7-10)14-12-8-9-13-15(12)2/h3,8-11,14H,1,4-7H2,2H3
InChIKeyQWYNMQXQPJLTQP-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.58
Rot. Bonds6

About N-(1-cyclopropylpent-4-enyl)-2-methylpyrazol-3-amine

N-(1-cyclopropylpent-4-enyl)-2-methylpyrazol-3-amine (PubChem CID 115921218) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-(1-cyclopropylpent-4-enyl)-2-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpent-4-enyl)-2-methylpyrazol-3-amine
PubChem CID115921218
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-(1-cyclopropylpent-4-enyl)-2-methylpyrazol-3-amine
SMILESC=CCCC(Nc1ccnn1C)C1CC1
InChIInChI=1S/C12H19N3/c1-3-4-5-11(10-6-7-10)14-12-8-9-13-15(12)2/h3,8-11,14H,1,4-7H2,2H3
InChIKeyQWYNMQXQPJLTQP-UHFFFAOYSA-N
XLogP2.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.58
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

1-(1-Cyclopropylethyl)-1H-pyrazol-5-amine
CID 3782762
5-Cyclopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4767315
N-[(3E)-5-(2-fluoro-2-methylcyclopropyl)penta-1,3-dien-2-yl]-1-methylpyrazol-3-amine
CID 177342696
1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
CID 64755468
1-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
CID 64757389
1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
CID 64758690
1-(2,2-difluoroethyl)-N-hex-5-en-2-ylpyrazol-3-amine
CID 104583945
1-ethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
CID 114251922
1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-3-amine
CID 115921005
N-(1-cyclopropylethyl)-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 115921006
N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 115921007
N-(1-cyclopropylpropyl)-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 115921011

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpent-4-enyl)-2-methylpyrazol-3-amine?
The IUPAC name of N-(1-cyclopropylpent-4-enyl)-2-methylpyrazol-3-amine (CID 115921218) is N-(1-cyclopropylpent-4-enyl)-2-methylpyrazol-3-amine.
What is the SMILES notation for N-(1-cyclopropylpent-4-enyl)-2-methylpyrazol-3-amine?
The canonical SMILES for N-(1-cyclopropylpent-4-enyl)-2-methylpyrazol-3-amine is C=CCCC(Nc1ccnn1C)C1CC1.
What is the InChIKey of N-(1-cyclopropylpent-4-enyl)-2-methylpyrazol-3-amine?
The InChIKey is QWYNMQXQPJLTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-4-5-11(10-6-7-10)14-12-8-9-13-15(12)2/h3,8-11,14H,1,4-7H2,2H3.
What are the key properties of N-(1-cyclopropylpent-4-enyl)-2-methylpyrazol-3-amine?
N-(1-cyclopropylpent-4-enyl)-2-methylpyrazol-3-amine has a molecular weight of 205.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpent-4-enyl)-2-methylpyrazol-3-amine is sourced from PubChem (CID 115921218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).