2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C19H27N3O2 — CID 110905762

IUPAC2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C19H27N3O2/c1-14-19(15(2)22(21-14)11-12-23)13-20-16-7-9-18(10-8-16)24-17-5-3-4-6-17/h7-10,17,20,23H,3-6,11-13H2,1-2H3
InChIKeySNAVRFMYKWXWGK-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.43
Rot. Bonds7

About 2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 110905762) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID110905762
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C19H27N3O2/c1-14-19(15(2)22(21-14)11-12-23)13-20-16-7-9-18(10-8-16)24-17-5-3-4-6-17/h7-10,17,20,23H,3-6,11-13H2,1-2H3
InChIKeySNAVRFMYKWXWGK-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 47615834
methyl 2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]phenyl]-2-methylpropanoate
CID 110017171
2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol
CID 110905750
2-[3,5-dimethyl-4-[(3-prop-2-enoxyanilino)methyl]pyrazol-1-yl]ethanol
CID 110906136
4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132218
2-[4-[[[1-(cyclopentylmethyl)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110909251
4-cyclopentyloxy-N-prop-2-ynylaniline
CID 63953479
2-[3,5-dimethyl-4-[[(6-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905729
2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol
CID 110928980
2-[3,5-dimethyl-4-[[[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 95733883
4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115688032
2-[3,5-dimethyl-4-[[(3-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905689

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 110905762) is 2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is SNAVRFMYKWXWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-19(15(2)22(21-14)11-12-23)13-20-16-7-9-18(10-8-16)24-17-5-3-4-6-17/h7-10,17,20,23H,3-6,11-13H2,1-2H3.
What are the key properties of 2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 329.44 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 110905762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).