1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol

C16H29N3O — CID 103158404

IUPAC1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol
SMILESCc1cc(C)n(CCCNCC(O)CC2CCCC2)n1
InChIInChI=1S/C16H29N3O/c1-13-10-14(2)19(18-13)9-5-8-17-12-16(20)11-15-6-3-4-7-15/h10,15-17,20H,3-9,11-12H2,1-2H3
InChIKeyCKMGYMMXTICAFH-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.42
Rot. Bonds8

About 1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol

1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol (PubChem CID 103158404) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol
PubChem CID103158404
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol
SMILESCc1cc(C)n(CCCNCC(O)CC2CCCC2)n1
InChIInChI=1S/C16H29N3O/c1-13-10-14(2)19(18-13)9-5-8-17-12-16(20)11-15-6-3-4-7-15/h10,15-17,20H,3-9,11-12H2,1-2H3
InChIKeyCKMGYMMXTICAFH-UHFFFAOYSA-N
XLogP2.42
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol
CID 115569666
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536339
1-cyclobutyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-2-amine
CID 115706636
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol
CID 114536486
ethyl 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-hydroxybutanoate
CID 103266908
ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate
CID 114536496
N-(cyclohex-3-en-1-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 113218918
3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 47005374
1-cyclopropyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-1-amine
CID 115706698
2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine
CID 115572685
[4-[(2R)-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 2126667
1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol
CID 103157604

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol (CID 103158404) is 1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol is Cc1cc(C)n(CCCNCC(O)CC2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol?
The InChIKey is CKMGYMMXTICAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13-10-14(2)19(18-13)9-5-8-17-12-16(20)11-15-6-3-4-7-15/h10,15-17,20H,3-9,11-12H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol?
1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol has a molecular weight of 279.43 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol is sourced from PubChem (CID 103158404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).