4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine

C13H23N3 — CID 114474920

IUPAC4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1ccn(C)n1
InChIInChI=1S/C13H23N3/c1-5-9-14-12(7-6-11(2)3)13-8-10-16(4)15-13/h8,10,12,14H,2,5-7,9H2,1,3-4H3
InChIKeyWCCVZFQELCJAMN-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.82
Rot. Bonds7

About 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine

4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine (PubChem CID 114474920) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine
PubChem CID114474920
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1ccn(C)n1
InChIInChI=1S/C13H23N3/c1-5-9-14-12(7-6-11(2)3)13-8-10-16(4)15-13/h8,10,12,14H,2,5-7,9H2,1,3-4H3
InChIKeyWCCVZFQELCJAMN-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 65197711
4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 103035714
1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine
CID 103130748
4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 65200338
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
N-[2-tert-butylsulfanyl-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103130904
1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine
CID 65198238
N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 83174760
1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039748
1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475621
N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65197614
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 79825756

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine?
The IUPAC name of 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine (CID 114474920) is 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine.
What is the SMILES notation for 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine?
The canonical SMILES for 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine is C=C(C)CCC(NCCC)c1ccn(C)n1.
What is the InChIKey of 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine?
The InChIKey is WCCVZFQELCJAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-9-14-12(7-6-11(2)3)13-8-10-16(4)15-13/h8,10,12,14H,2,5-7,9H2,1,3-4H3.
What are the key properties of 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine?
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine is sourced from PubChem (CID 114474920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).