[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine

C13H23N3 — CID 81009696

IUPAC[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
SMILESCCc1cc(CC2CCCC2CN)n(C)n1
InChIInChI=1S/C13H23N3/c1-3-12-8-13(16(2)15-12)7-10-5-4-6-11(10)9-14/h8,10-11H,3-7,9,14H2,1-2H3
InChIKeyOBVWEEDFPPWFBH-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.90
Rot. Bonds4

About [2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine

[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine (PubChem CID 81009696) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is [2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
PubChem CID81009696
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
SMILESCCc1cc(CC2CCCC2CN)n(C)n1
InChIInChI=1S/C13H23N3/c1-3-12-8-13(16(2)15-12)7-10-5-4-6-11(10)9-14/h8,10-11H,3-7,9,14H2,1-2H3
InChIKeyOBVWEEDFPPWFBH-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine
CID 81012010
N-[[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027589
[2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 81010612
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine
CID 80603738
1-(2-aminocyclopentyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116580195
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106779982
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033085
N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121154
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine
CID 106779970
2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine
CID 82692230
2-(aminomethyl)-2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol
CID 106506639
(2-ethylcyclohexyl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 105151143

Frequently Asked Questions

What is the IUPAC name of [2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine (CID 81009696) is [2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine is CCc1cc(CC2CCCC2CN)n(C)n1.
What is the InChIKey of [2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine?
The InChIKey is OBVWEEDFPPWFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-12-8-13(16(2)15-12)7-10-5-4-6-11(10)9-14/h8,10-11H,3-7,9,14H2,1-2H3.
What are the key properties of [2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine?
[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine has a molecular weight of 221.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 81009696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).