N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine

C13H23N3 — CID 81034337

IUPACN-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCC1c1cnn(C)c1
InChIInChI=1S/C13H23N3/c1-10(2)14-7-11-5-4-6-13(11)12-8-15-16(3)9-12/h8-11,13-14H,4-7H2,1-3H3
InChIKeyHIURFYNZZYBIAX-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.30
Rot. Bonds4

About N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine

N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine (PubChem CID 81034337) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine
PubChem CID81034337
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCC1c1cnn(C)c1
InChIInChI=1S/C13H23N3/c1-10(2)14-7-11-5-4-6-13(11)12-8-15-16(3)9-12/h8-11,13-14H,4-7H2,1-3H3
InChIKeyHIURFYNZZYBIAX-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine
CID 81025706
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine
CID 81017644
N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine
CID 79365651
N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine
CID 81034048
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine
CID 116507110
N-[(2-pyridin-3-ylcyclohexyl)methyl]propan-2-amine
CID 81027798
N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine
CID 81024326
N-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine
CID 81033718
2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine
CID 146260881
N-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine
CID 62604588
N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine
CID 81034049
N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine
CID 103573232

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine (CID 81034337) is N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine is CC(C)NCC1CCCC1c1cnn(C)c1.
What is the InChIKey of N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is HIURFYNZZYBIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)14-7-11-5-4-6-13(11)12-8-15-16(3)9-12/h8-11,13-14H,4-7H2,1-3H3.
What are the key properties of N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine?
N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 81034337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).