N-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine

C13H23N3 — CID 115921396

IUPACN-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine
SMILESC=CCC(C)C(C)Nc1cnn(CCC)c1
InChIInChI=1S/C13H23N3/c1-5-7-11(3)12(4)15-13-9-14-16(10-13)8-6-2/h5,9-12,15H,1,6-8H2,2-4H3
InChIKeyYYFJKYGRLQZDOJ-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.31
Rot. Bonds7

About N-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine

N-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine (PubChem CID 115921396) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine.

Molecular Properties

Compound NameN-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine
PubChem CID115921396
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine
SMILESC=CCC(C)C(C)Nc1cnn(CCC)c1
InChIInChI=1S/C13H23N3/c1-5-7-11(3)12(4)15-13-9-14-16(10-13)8-6-2/h5,9-12,15H,1,6-8H2,2-4H3
InChIKeyYYFJKYGRLQZDOJ-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.31
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

N-pentan-2-yl-1-propylpyrazol-4-amine
CID 115921377
N-(1-cyclopropylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921375
N-[(2S)-1-methoxypropan-2-yl]-1-propylpyrazol-4-amine
CID 97338513
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
CID 97338512
1-(1-propylpyrazol-4-yl)but-3-enylhydrazine
CID 105269651
N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921376
1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine
CID 97309859
1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine
CID 97342085
1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine
CID 54866652
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine
CID 99825558
N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine
CID 86791923
2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol
CID 115922691

Frequently Asked Questions

What is the IUPAC name of N-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine?
The IUPAC name of N-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine (CID 115921396) is N-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine.
What is the SMILES notation for N-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine?
The canonical SMILES for N-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine is C=CCC(C)C(C)Nc1cnn(CCC)c1.
What is the InChIKey of N-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine?
The InChIKey is YYFJKYGRLQZDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-7-11(3)12(4)15-13-9-14-16(10-13)8-6-2/h5,9-12,15H,1,6-8H2,2-4H3.
What are the key properties of N-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine?
N-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine is sourced from PubChem (CID 115921396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).