1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine

C12H21N3 — CID 80705361

IUPAC1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine
SMILESCCn1cc(C2(N)CCC(C)(C)C2)cn1
InChIInChI=1S/C12H21N3/c1-4-15-8-10(7-14-15)12(13)6-5-11(2,3)9-12/h7-8H,4-6,9,13H2,1-3H3
InChIKeyGSGAXCAFLSJVKW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.27
Rot. Bonds2

About 1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine

1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine (PubChem CID 80705361) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine
PubChem CID80705361
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine
SMILESCCn1cc(C2(N)CCC(C)(C)C2)cn1
InChIInChI=1S/C12H21N3/c1-4-15-8-10(7-14-15)12(13)6-5-11(2,3)9-12/h7-8H,4-6,9,13H2,1-3H3
InChIKeyGSGAXCAFLSJVKW-UHFFFAOYSA-N
XLogP2.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754656
4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine
CID 112563242
1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083823
1-(1-prop-2-enylpyrazol-4-yl)cyclopropan-1-amine
CID 84764707
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine
CID 176804108
4-(1-propylpyrazol-4-yl)oxepan-4-amine
CID 65082026
1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80693589
1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole
CID 112564397
1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856639
1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol
CID 64737522
1-cyclopropyl-3-(1-ethylpyrazol-4-yl)pyrrolidin-3-ol
CID 62975249
1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116576739

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine (CID 80705361) is 1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine is CCn1cc(C2(N)CCC(C)(C)C2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine?
The InChIKey is GSGAXCAFLSJVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-15-8-10(7-14-15)12(13)6-5-11(2,3)9-12/h7-8H,4-6,9,13H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine?
1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80705361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).