5-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C14H27N3O — CID 64810890

IUPAC5-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCc1cc(C)n(CCCC(C)(CO)NC(C)C)n1
InChIInChI=1S/C14H27N3O/c1-11(2)15-14(5,10-18)7-6-8-17-13(4)9-12(3)16-17/h9,11,15,18H,6-8,10H2,1-5H3
InChIKeyGXRGQLXASIBOCN-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.03
Rot. Bonds7

About 5-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

5-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64810890) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64810890
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name5-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCc1cc(C)n(CCCC(C)(CO)NC(C)C)n1
InChIInChI=1S/C14H27N3O/c1-11(2)15-14(5,10-18)7-6-8-17-13(4)9-12(3)16-17/h9,11,15,18H,6-8,10H2,1-5H3
InChIKeyGXRGQLXASIBOCN-UHFFFAOYSA-N
XLogP2.03
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64809852
3,5-dimethyl-1-(4,4,4-trifluorobutyl)pyrazole
CID 115518541
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol
CID 114536486
3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64808384
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine
CID 62449266
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
CID 115706653
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,3-dimethylbutanamide
CID 115750968
2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64811325
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol
CID 115569666
methyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]butanoate
CID 115977434

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64810890) is 5-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is Cc1cc(C)n(CCCC(C)(CO)NC(C)C)n1.
What is the InChIKey of 5-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is GXRGQLXASIBOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)15-14(5,10-18)7-6-8-17-13(4)9-12(3)16-17/h9,11,15,18H,6-8,10H2,1-5H3.
What are the key properties of 5-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
5-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64810890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).