1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol

C19H27N3O2 — CID 111457624

IUPAC1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(C(C)(O)CNCc2ccccc2OC2CCCC2)cn1
InChIInChI=1S/C19H27N3O2/c1-19(23,16-12-21-22(2)13-16)14-20-11-15-7-3-6-10-18(15)24-17-8-4-5-9-17/h3,6-7,10,12-13,17,20,23H,4-5,8-9,11,14H2,1-2H3
InChIKeySJUFMNOKZXKDHS-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.74
Rot. Bonds7

About 1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol

1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 111457624) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID111457624
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(C(C)(O)CNCc2ccccc2OC2CCCC2)cn1
InChIInChI=1S/C19H27N3O2/c1-19(23,16-12-21-22(2)13-16)14-20-11-15-7-3-6-10-18(15)24-17-8-4-5-9-17/h3,6-7,10,12-13,17,20,23H,4-5,8-9,11,14H2,1-2H3
InChIKeySJUFMNOKZXKDHS-UHFFFAOYSA-N
XLogP2.74
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-cyclopentyloxyphenyl)methyl]-1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111657220
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
(4S,5R)-4-[[(2-cyclopentyloxyphenyl)methylamino]methyl]-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129005138
2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111656128
1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111969444
1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111467294
1-(2-cyclopentyloxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 119110144
1-[(4-ethylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457689
(2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99626808
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(3-methoxycyclohexyl)acetamide
CID 154862518
(2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 97223061

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 111457624) is 1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol is Cn1cc(C(C)(O)CNCc2ccccc2OC2CCCC2)cn1.
What is the InChIKey of 1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is SJUFMNOKZXKDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(23,16-12-21-22(2)13-16)14-20-11-15-7-3-6-10-18(15)24-17-8-4-5-9-17/h3,6-7,10,12-13,17,20,23H,4-5,8-9,11,14H2,1-2H3.
What are the key properties of 1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 329.44 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 111457624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).