(1R)-2-(dicyclopentylmethylamino)-1-(1-methylpyrazol-4-yl)ethanol

C17H29N3O — CID 164637002

IUPAC(1R)-2-(dicyclopentylmethylamino)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc([C@@H](O)CNC(C2CCCC2)C2CCCC2)cn1
InChIInChI=1S/C17H29N3O/c1-20-12-15(10-19-20)16(21)11-18-17(13-6-2-3-7-13)14-8-4-5-9-14/h10,12-14,16-18,21H,2-9,11H2,1H3/t16-/m0/s1
InChIKeyWFCOCEIXWGVUMB-INIZCTEOSA-N
MW291.44 g/mol
LogP2.79
Rot. Bonds6

About (1R)-2-(dicyclopentylmethylamino)-1-(1-methylpyrazol-4-yl)ethanol

(1R)-2-(dicyclopentylmethylamino)-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 164637002) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is (1R)-2-(dicyclopentylmethylamino)-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-(dicyclopentylmethylamino)-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID164637002
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name(1R)-2-(dicyclopentylmethylamino)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc([C@@H](O)CNC(C2CCCC2)C2CCCC2)cn1
InChIInChI=1S/C17H29N3O/c1-20-12-15(10-19-20)16(21)11-18-17(13-6-2-3-7-13)14-8-4-5-9-14/h10,12-14,16-18,21H,2-9,11H2,1H3/t16-/m0/s1
InChIKeyWFCOCEIXWGVUMB-INIZCTEOSA-N
XLogP2.79
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 72116376
2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 126822153
1-Cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol
CID 132970547
(2R)-2-(1-bicyclo[2.2.1]heptanylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 164632154
2-(1,1,1,7,7,7-Hexafluoroheptan-4-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 132318235
(1-Methylpyrazol-4-yl)-pyrrolidin-2-ylmethanol
CID 19971534
2-Amino-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 43566100
1-[1-(Cyclopentylmethyl)pyrazol-4-yl]ethanol
CID 62731093
1-[1-(2-Ethylhexyl)pyrazol-4-yl]ethanol
CID 62731284
2-Amino-4-methyl-1-(1-methylpyrazol-4-yl)pentan-1-ol
CID 62763637
1-[1-(2-Ethylcyclohexyl)pyrazol-4-yl]ethanol
CID 63862050
(1-Methylpyrazol-4-yl)-piperidin-2-ylmethanol
CID 64090231

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(dicyclopentylmethylamino)-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of (1R)-2-(dicyclopentylmethylamino)-1-(1-methylpyrazol-4-yl)ethanol (CID 164637002) is (1R)-2-(dicyclopentylmethylamino)-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for (1R)-2-(dicyclopentylmethylamino)-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for (1R)-2-(dicyclopentylmethylamino)-1-(1-methylpyrazol-4-yl)ethanol is Cn1cc([C@@H](O)CNC(C2CCCC2)C2CCCC2)cn1.
What is the InChIKey of (1R)-2-(dicyclopentylmethylamino)-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is WFCOCEIXWGVUMB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H29N3O/c1-20-12-15(10-19-20)16(21)11-18-17(13-6-2-3-7-13)14-8-4-5-9-14/h10,12-14,16-18,21H,2-9,11H2,1H3/t16-/m0/s1.
What are the key properties of (1R)-2-(dicyclopentylmethylamino)-1-(1-methylpyrazol-4-yl)ethanol?
(1R)-2-(dicyclopentylmethylamino)-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 291.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(dicyclopentylmethylamino)-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 164637002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).