[1-(aminomethyl)cyclopentyl]-(3-ethyl-1-methylpyrazol-4-yl)methanol

C13H23N3O — CID 112671560

IUPAC[1-(aminomethyl)cyclopentyl]-(3-ethyl-1-methylpyrazol-4-yl)methanol
SMILESCCc1nn(C)cc1C(O)C1(CN)CCCC1
InChIInChI=1S/C13H23N3O/c1-3-11-10(8-16(2)15-11)12(17)13(9-14)6-4-5-7-13/h8,12,17H,3-7,9,14H2,1-2H3
InChIKeyHBBLNEXJDDCLPP-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.53
Rot. Bonds4

About [1-(aminomethyl)cyclopentyl]-(3-ethyl-1-methylpyrazol-4-yl)methanol

[1-(aminomethyl)cyclopentyl]-(3-ethyl-1-methylpyrazol-4-yl)methanol (PubChem CID 112671560) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-(3-ethyl-1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-(3-ethyl-1-methylpyrazol-4-yl)methanol
PubChem CID112671560
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[1-(aminomethyl)cyclopentyl]-(3-ethyl-1-methylpyrazol-4-yl)methanol
SMILESCCc1nn(C)cc1C(O)C1(CN)CCCC1
InChIInChI=1S/C13H23N3O/c1-3-11-10(8-16(2)15-11)12(17)13(9-14)6-4-5-7-13/h8,12,17H,3-7,9,14H2,1-2H3
InChIKeyHBBLNEXJDDCLPP-UHFFFAOYSA-N
XLogP1.53
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
[1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol
CID 83094813
[1-(aminomethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methanol
CID 79135001
2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
CID 112669237
N-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811436
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate
CID 112669747
1-[(3-ethyl-1-methylpyrazol-4-yl)-hydroxymethyl]-2,3-dihydroindene-1-carbonitrile
CID 115991200
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811424
1-(3-ethyl-1-methylpyrazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 112669221
4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane
CID 165139530
1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine
CID 112669602
[1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-dimethylpropyl]hydrazine
CID 102813091

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-(3-ethyl-1-methylpyrazol-4-yl)methanol?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-(3-ethyl-1-methylpyrazol-4-yl)methanol (CID 112671560) is [1-(aminomethyl)cyclopentyl]-(3-ethyl-1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-(3-ethyl-1-methylpyrazol-4-yl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-(3-ethyl-1-methylpyrazol-4-yl)methanol is CCc1nn(C)cc1C(O)C1(CN)CCCC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-(3-ethyl-1-methylpyrazol-4-yl)methanol?
The InChIKey is HBBLNEXJDDCLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-11-10(8-16(2)15-11)12(17)13(9-14)6-4-5-7-13/h8,12,17H,3-7,9,14H2,1-2H3.
What are the key properties of [1-(aminomethyl)cyclopentyl]-(3-ethyl-1-methylpyrazol-4-yl)methanol?
[1-(aminomethyl)cyclopentyl]-(3-ethyl-1-methylpyrazol-4-yl)methanol has a molecular weight of 237.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-(3-ethyl-1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 112671560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).