1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylazepan-4-ol

C13H24N4O — CID 107403606

IUPAC1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylazepan-4-ol
SMILESCCc1nn(C)c(N2CCCC(C)(O)CC2)c1N
InChIInChI=1S/C13H24N4O/c1-4-10-11(14)12(16(3)15-10)17-8-5-6-13(2,18)7-9-17/h18H,4-9,14H2,1-3H3
InChIKeyIVCKOEALNBYPKA-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.31
Rot. Bonds2

About 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylazepan-4-ol

1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylazepan-4-ol (PubChem CID 107403606) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylazepan-4-ol
PubChem CID107403606
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylazepan-4-ol
SMILESCCc1nn(C)c(N2CCCC(C)(O)CC2)c1N
InChIInChI=1S/C13H24N4O/c1-4-10-11(14)12(16(3)15-10)17-8-5-6-13(2,18)7-9-17/h18H,4-9,14H2,1-3H3
InChIKeyIVCKOEALNBYPKA-UHFFFAOYSA-N
XLogP1.31
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol
CID 81096865
5-(3,3-dimethylpiperidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 66015241
5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine
CID 66019488
3-ethyl-1-methyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazol-4-amine
CID 66014243
3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine
CID 66013850
5-(3,4-dimethylpyrrolidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 79188895
1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]-4-methylazepan-4-ol
CID 107405407
1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 72838612
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 66013841
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 113335507
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409073
4-methyl-1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)azepan-4-ol
CID 107407478

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylazepan-4-ol (CID 107403606) is 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylazepan-4-ol is CCc1nn(C)c(N2CCCC(C)(O)CC2)c1N.
What is the InChIKey of 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylazepan-4-ol?
The InChIKey is IVCKOEALNBYPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-10-11(14)12(16(3)15-10)17-8-5-6-13(2,18)7-9-17/h18H,4-9,14H2,1-3H3.
What are the key properties of 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylazepan-4-ol?
1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylazepan-4-ol has a molecular weight of 252.36 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 107403606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).