1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile

C15H23N3O — CID 103573501

IUPAC1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile
SMILESCCCn1cc(C(O)C2(C#N)CCC(C)CC2)cn1
InChIInChI=1S/C15H23N3O/c1-3-8-18-10-13(9-17-18)14(19)15(11-16)6-4-12(2)5-7-15/h9-10,12,14,19H,3-8H2,1-2H3
InChIKeyQBBRAGCOGBIMHH-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.05
Rot. Bonds4

About 1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile

1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile (PubChem CID 103573501) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile
PubChem CID103573501
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile
SMILESCCCn1cc(C(O)C2(C#N)CCC(C)CC2)cn1
InChIInChI=1S/C15H23N3O/c1-3-8-18-10-13(9-17-18)14(19)15(11-16)6-4-12(2)5-7-15/h9-10,12,14,19H,3-8H2,1-2H3
InChIKeyQBBRAGCOGBIMHH-UHFFFAOYSA-N
XLogP3.05
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[hydroxy-(1-propylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carbonitrile
CID 103573499
1-[(3-ethylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile
CID 79126910
[1-(aminomethyl)-4-methylcyclohexyl]-(1-ethylpyrazol-4-yl)methanol
CID 103570954
1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 116766518
(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572566
1-[hydroxy-(4-methoxyphenyl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 79129101
(1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone
CID 103450707
1-[hydroxy-(3-propoxyphenyl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 79124055
cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile
CID 79127804
(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol
CID 114215857

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile (CID 103573501) is 1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile is CCCn1cc(C(O)C2(C#N)CCC(C)CC2)cn1.
What is the InChIKey of 1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile?
The InChIKey is QBBRAGCOGBIMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-8-18-10-13(9-17-18)14(19)15(11-16)6-4-12(2)5-7-15/h9-10,12,14,19H,3-8H2,1-2H3.
What are the key properties of 1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile?
1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile has a molecular weight of 261.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 103573501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).