2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol

C14H25N3O — CID 79051966

IUPAC2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(C(O)C(C)(C)N2CCCCCC2)cn1
InChIInChI=1S/C14H25N3O/c1-14(2,17-8-6-4-5-7-9-17)13(18)12-10-15-16(3)11-12/h10-11,13,18H,4-9H2,1-3H3
InChIKeyWYQSJCRBEQGUMQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.11
Rot. Bonds3

About 2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol

2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 79051966) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID79051966
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(C(O)C(C)(C)N2CCCCCC2)cn1
InChIInChI=1S/C14H25N3O/c1-14(2,17-8-6-4-5-7-9-17)13(18)12-10-15-16(3)11-12/h10-11,13,18H,4-9H2,1-3H3
InChIKeyWYQSJCRBEQGUMQ-UHFFFAOYSA-N
XLogP2.11
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056047
2-(azepan-1-yl)-2-methyl-1-pyrimidin-5-ylpropan-1-ol
CID 79051209
2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol
CID 79045835
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 79051106
(1R)-2,2,2-trichloro-1-(1-methylpyrazol-4-yl)ethanol
CID 95969833
2-(azepan-1-yl)-1-(3,4-dichlorophenyl)-2-methylpropan-1-ol
CID 79051073
2-methyl-1-(5-methyl-3-pyridinyl)-2-pyrrolidin-1-ylpropan-1-ol
CID 115374168
4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103011040
2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol
CID 79044854
2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol
CID 79045471
2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 116752121
(1S)-1-(1-methylpyrazol-4-yl)prop-2-yn-1-ol
CID 130563311

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol (CID 79051966) is 2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol is Cn1cc(C(O)C(C)(C)N2CCCCCC2)cn1.
What is the InChIKey of 2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is WYQSJCRBEQGUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2,17-8-6-4-5-7-9-17)13(18)12-10-15-16(3)11-12/h10-11,13,18H,4-9H2,1-3H3.
What are the key properties of 2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol?
2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 79051966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).