2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine

C16H29N3 — CID 103014821

IUPAC2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
SMILESCCCNCC(CCc1cnn(C)c1)C1CCCC1
InChIInChI=1S/C16H29N3/c1-3-10-17-12-16(15-6-4-5-7-15)9-8-14-11-18-19(2)13-14/h11,13,15-17H,3-10,12H2,1-2H3
InChIKeyNBUCBVZBWKVZDZ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.16
Rot. Bonds8

About 2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine

2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine (PubChem CID 103014821) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
PubChem CID103014821
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
SMILESCCCNCC(CCc1cnn(C)c1)C1CCCC1
InChIInChI=1S/C16H29N3/c1-3-10-17-12-16(15-6-4-5-7-15)9-8-14-11-18-19(2)13-14/h11,13,15-17H,3-10,12H2,1-2H3
InChIKeyNBUCBVZBWKVZDZ-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001567
[1-cycloheptyl-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025788
1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103010677
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 107191671
2-benzyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 103014292
2-(1,1-dioxothiolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 62529848
N-[2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine
CID 103014322
N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126447
N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009708
2-cyclohexyl-N-propylpentan-1-amine
CID 82932453
N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine
CID 103010653

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine (CID 103014821) is 2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine is CCCNCC(CCc1cnn(C)c1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine?
The InChIKey is NBUCBVZBWKVZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-10-17-12-16(15-6-4-5-7-15)9-8-14-11-18-19(2)13-14/h11,13,15-17H,3-10,12H2,1-2H3.
What are the key properties of 2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine?
2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 103014821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).