2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol

C17H21N5O — CID 110905750

IUPAC2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H21N5O/c1-13-17(14(2)21(20-13)10-11-23)12-18-15-4-6-16(7-5-15)22-9-3-8-19-22/h3-9,18,23H,10-12H2,1-2H3
InChIKeyWACUCRUDOZGPNE-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.29
Rot. Bonds6

About 2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol (PubChem CID 110905750) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol
PubChem CID110905750
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H21N5O/c1-13-17(14(2)21(20-13)10-11-23)12-18-15-4-6-16(7-5-15)22-9-3-8-19-22/h3-9,18,23H,10-12H2,1-2H3
InChIKeyWACUCRUDOZGPNE-UHFFFAOYSA-N
XLogP2.29
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110905723
2-[3,5-dimethyl-4-[[(6-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905729
methyl 2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]phenyl]-2-methylpropanoate
CID 110017171
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 112825576
1-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 48519340
2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 110905622
2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol
CID 110928980
2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 95277089
2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905755
2-[3,5-dimethyl-4-[(3-prop-2-enoxyanilino)methyl]pyrazol-1-yl]ethanol
CID 110906136
4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43226671
N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 66412112

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol (CID 110905750) is 2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is WACUCRUDOZGPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13-17(14(2)21(20-13)10-11-23)12-18-15-4-6-16(7-5-15)22-9-3-8-19-22/h3-9,18,23H,10-12H2,1-2H3.
What are the key properties of 2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 311.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110905750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).