[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol

C18H21N5O — CID 146121632

IUPAC[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1cn(Cc2ccn(C3CCCC3)n2)nn1
InChIInChI=1S/C18H21N5O/c24-18(14-6-2-1-3-7-14)17-13-22(21-19-17)12-15-10-11-23(20-15)16-8-4-5-9-16/h1-3,6-7,10-11,13,16,18,24H,4-5,8-9,12H2
InChIKeyNBJDBWZIKXPVAW-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.72
Rot. Bonds5

About [1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol

[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol (PubChem CID 146121632) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is [1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol
PubChem CID146121632
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1cn(Cc2ccn(C3CCCC3)n2)nn1
InChIInChI=1S/C18H21N5O/c24-18(14-6-2-1-3-7-14)17-13-22(21-19-17)12-15-10-11-23(20-15)16-8-4-5-9-16/h1-3,6-7,10-11,13,16,18,24H,4-5,8-9,12H2
InChIKeyNBJDBWZIKXPVAW-UHFFFAOYSA-N
XLogP2.72
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-bromoethyl)-1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole
CID 81448654
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol
CID 64778669
4-(chloromethyl)-1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole
CID 64778866
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one
CID 103458105
2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine
CID 64779259
methyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate
CID 103107476
1-(1-cyclohexylpyrazol-3-yl)-3-phenylpropan-2-ol
CID 64784664
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol
CID 79106230
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777224
2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol
CID 64779027
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79109333

Frequently Asked Questions

What is the IUPAC name of [1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol?
The IUPAC name of [1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol (CID 146121632) is [1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol.
What is the SMILES notation for [1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol?
The canonical SMILES for [1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol is OC(c1ccccc1)c1cn(Cc2ccn(C3CCCC3)n2)nn1.
What is the InChIKey of [1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol?
The InChIKey is NBJDBWZIKXPVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-18(14-6-2-1-3-7-14)17-13-22(21-19-17)12-15-10-11-23(20-15)16-8-4-5-9-16/h1-3,6-7,10-11,13,16,18,24H,4-5,8-9,12H2.
What are the key properties of [1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol?
[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol has a molecular weight of 323.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol is sourced from PubChem (CID 146121632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).