[1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol

C16H29N3O — CID 79075090

IUPAC[1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C16H29N3O/c1-5-12-19-14(8-11-17-19)15(20)16(18(3)4)9-6-13(2)7-10-16/h8,11,13,15,20H,5-7,9-10,12H2,1-4H3
InChIKeyINRTTXSHLIZWPT-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.84
Rot. Bonds5

About [1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol

[1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol (PubChem CID 79075090) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is [1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name[1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol
PubChem CID79075090
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name[1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C16H29N3O/c1-5-12-19-14(8-11-17-19)15(20)16(18(3)4)9-6-13(2)7-10-16/h8,11,13,15,20H,5-7,9-10,12H2,1-4H3
InChIKeyINRTTXSHLIZWPT-UHFFFAOYSA-N
XLogP2.84
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol
CID 79074868
N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 63974485
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanol
CID 116753279
[1-(dimethylamino)cyclopentyl]-(2-methylpyrazol-3-yl)methanol
CID 79068264
(4-cyclopropylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 79980656
4-[hydroxy-(2-propylpyrazol-3-yl)methyl]oxane-4-carbonitrile
CID 114558157
3-(dimethylamino)-1-(2-propylpyrazol-3-yl)propan-1-ol
CID 115345864
oxan-3-yl-(2-propylpyrazol-3-yl)methanol
CID 63977183
(2-propylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622236
2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
CID 63977421
1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074466
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol
CID 114644578

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of [1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol (CID 79075090) is [1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for [1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for [1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of [1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol?
The InChIKey is INRTTXSHLIZWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-12-19-14(8-11-17-19)15(20)16(18(3)4)9-6-13(2)7-10-16/h8,11,13,15,20H,5-7,9-10,12H2,1-4H3.
What are the key properties of [1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol?
[1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol has a molecular weight of 279.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 79075090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).