3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine

C13H23N3 — CID 103622795

IUPAC3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCc1[nH]ncc1CNCCCC1CCCC1
InChIInChI=1S/C13H23N3/c1-11-13(10-15-16-11)9-14-8-4-7-12-5-2-3-6-12/h10,12,14H,2-9H2,1H3,(H,15,16)
InChIKeyJYKMZGTTXOBOGB-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.78
Rot. Bonds6

About 3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine

3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 103622795) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID103622795
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCc1[nH]ncc1CNCCCC1CCCC1
InChIInChI=1S/C13H23N3/c1-11-13(10-15-16-11)9-14-8-4-7-12-5-2-3-6-12/h10,12,14H,2-9H2,1H3,(H,15,16)
InChIKeyJYKMZGTTXOBOGB-UHFFFAOYSA-N
XLogP2.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine
CID 61004281
5,5,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine
CID 115491490
3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 63226414
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923072
2-cyclopentyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62037988
3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 115767982
3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine
CID 114136754
3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43663684
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353437
1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 111609042
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]azepan-2-one
CID 86808383
1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
CID 56821604

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 103622795) is 3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine is Cc1[nH]ncc1CNCCCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is JYKMZGTTXOBOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11-13(10-15-16-11)9-14-8-4-7-12-5-2-3-6-12/h10,12,14H,2-9H2,1H3,(H,15,16).
What are the key properties of 3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 103622795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).