1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

C13H23N3 — CID 103029892

IUPAC1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)C2(C)CCCC2)cn1
InChIInChI=1S/C13H23N3/c1-13(7-3-4-8-13)12(14)6-5-11-9-15-16(2)10-11/h9-10,12H,3-8,14H2,1-2H3
InChIKeyVPKMWSVKOFZVIO-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.26
Rot. Bonds4

About 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103029892) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103029892
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)C2(C)CCCC2)cn1
InChIInChI=1S/C13H23N3/c1-13(7-3-4-8-13)12(14)6-5-11-9-15-16(2)10-11/h9-10,12H,3-8,14H2,1-2H3
InChIKeyVPKMWSVKOFZVIO-UHFFFAOYSA-N
XLogP2.26
TPSA43.84 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011693
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027896
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103012565
1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 106830819
[1-(1-methoxycyclopentyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103027057
1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79081869
2-(1-ethylpyrazol-4-yl)-1-(1-methylcyclopentyl)ethanamine
CID 115822094
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
2-(1-ethylpyrazol-4-yl)-1-(1-methylcyclohexyl)ethanamine
CID 106829887
4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103011040
1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008601
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029722

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103029892) is 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is Cn1cc(CCC(N)C2(C)CCCC2)cn1.
What is the InChIKey of 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is VPKMWSVKOFZVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-13(7-3-4-8-13)12(14)6-5-11-9-15-16(2)10-11/h9-10,12H,3-8,14H2,1-2H3.
What are the key properties of 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103029892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).