1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol

C15H27N3O — CID 111467303

IUPAC1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(C(C)(O)CNC2CCC(C)(C)CC2)cn1
InChIInChI=1S/C15H27N3O/c1-14(2)7-5-13(6-8-14)16-11-15(3,19)12-9-17-18(4)10-12/h9-10,13,16,19H,5-8,11H2,1-4H3
InChIKeyUMNXSVYLZUUPCA-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.19
Rot. Bonds4

About 1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol

1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 111467303) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID111467303
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(C(C)(O)CNC2CCC(C)(C)CC2)cn1
InChIInChI=1S/C15H27N3O/c1-14(2)7-5-13(6-8-14)16-11-15(3,19)12-9-17-18(4)10-12/h9-10,13,16,19H,5-8,11H2,1-4H3
InChIKeyUMNXSVYLZUUPCA-UHFFFAOYSA-N
XLogP2.19
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol
CID 115723352
(2R)-1-[[(3R)-1-benzyl-5,5-dimethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 97102243
1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
1-(cyclopropylamino)-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038933
(2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 95396406
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol
CID 133403121
1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458111
1-[(4-ethylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457689
(2R)-1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 129392773
1-(2-methoxyethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038024

Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 111467303) is 1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol is Cn1cc(C(C)(O)CNC2CCC(C)(C)CC2)cn1.
What is the InChIKey of 1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is UMNXSVYLZUUPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-14(2)7-5-13(6-8-14)16-11-15(3,19)12-9-17-18(4)10-12/h9-10,13,16,19H,5-8,11H2,1-4H3.
What are the key properties of 1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 111467303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).