1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol

C13H24N4O — CID 63623491

IUPAC1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol
SMILESCC1CCCN(CC(O)Cn2cc(N)cn2)CC1
InChIInChI=1S/C13H24N4O/c1-11-3-2-5-16(6-4-11)9-13(18)10-17-8-12(14)7-15-17/h7-8,11,13,18H,2-6,9-10,14H2,1H3
InChIKeyVEWROJAHBBAPQU-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.95
Rot. Bonds4

About 1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol

1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol (PubChem CID 63623491) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol
PubChem CID63623491
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol
SMILESCC1CCCN(CC(O)Cn2cc(N)cn2)CC1
InChIInChI=1S/C13H24N4O/c1-11-3-2-5-16(6-4-11)9-13(18)10-17-8-12(14)7-15-17/h7-8,11,13,18H,2-6,9-10,14H2,1H3
InChIKeyVEWROJAHBBAPQU-UHFFFAOYSA-N
XLogP0.95
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-aminopyrazol-1-yl)-3-pyrrolidin-1-ylpropan-2-ol
CID 51864183
1-(4-aminopyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol
CID 43369877
1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol
CID 43584180
1-(4-aminopyrazol-1-yl)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol
CID 62368592
1-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 103194660
1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
CID 114797096
1-(4-aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol
CID 62968918
(2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 95610418
1-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-1,4-diazepan-5-one
CID 63003001
1-chloro-3-(4-methylazepan-1-yl)propan-2-ol
CID 112561671
1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol
CID 63233045
1-(4-aminopyrazol-1-yl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol
CID 81205949

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol (CID 63623491) is 1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol is CC1CCCN(CC(O)Cn2cc(N)cn2)CC1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol?
The InChIKey is VEWROJAHBBAPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11-3-2-5-16(6-4-11)9-13(18)10-17-8-12(14)7-15-17/h7-8,11,13,18H,2-6,9-10,14H2,1H3.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol is sourced from PubChem (CID 63623491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).