(Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine

C13H23N3 — CID 82881878

IUPAC(Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C(/C)Cc1ccn(C)n1
InChIInChI=1S/C13H23N3/c1-4-8-14-9-5-6-12(2)11-13-7-10-16(3)15-13/h6-7,10,14H,4-5,8-9,11H2,1-3H3/b12-6-
InChIKeyKIQZKDLMSPHWOX-SDQBBNPISA-N
MW221.35 g/mol
LogP2.30
Rot. Bonds7

About (Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine

(Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine (PubChem CID 82881878) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine
PubChem CID82881878
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C(/C)Cc1ccn(C)n1
InChIInChI=1S/C13H23N3/c1-4-8-14-9-5-6-12(2)11-13-7-10-16(3)15-13/h6-7,10,14H,4-5,8-9,11H2,1-3H3/b12-6-
InChIKeyKIQZKDLMSPHWOX-SDQBBNPISA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine
CID 79599253
4-methyl-5-(2-methylphenyl)-N-propylpent-3-en-1-amine
CID 79599626
N-[2-(1-methylpyrazol-3-yl)ethyl]but-3-en-1-amine
CID 106104517
4-methyl-5-(1-methylbenzimidazol-2-yl)-N-propylpent-3-en-1-amine
CID 79750073
3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 82882611
4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine
CID 79598478
5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598739
4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine
CID 79599107
(Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79599377
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine
CID 82870607
N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 82873131
4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine
CID 79599262

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine?
The IUPAC name of (Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine (CID 82881878) is (Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for (Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine?
The canonical SMILES for (Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine is CCCNCC/C=C(/C)Cc1ccn(C)n1.
What is the InChIKey of (Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine?
The InChIKey is KIQZKDLMSPHWOX-SDQBBNPISA-N. The full InChI is InChI=1S/C13H23N3/c1-4-8-14-9-5-6-12(2)11-13-7-10-16(3)15-13/h6-7,10,14H,4-5,8-9,11H2,1-3H3/b12-6-.
What are the key properties of (Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine?
(Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 82881878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).