2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol

C11H16ClN5O — CID 110928879

IUPAC2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
SMILESCc1nn(C)c(Cl)c1CNc1cnn(CCO)c1
InChIInChI=1S/C11H16ClN5O/c1-8-10(11(12)16(2)15-8)6-13-9-5-14-17(7-9)3-4-18/h5,7,13,18H,3-4,6H2,1-2H3
InChIKeyRXSCLYCZDYFRAH-UHFFFAOYSA-N
MW269.74 g/mol
LogP1.18
Rot. Bonds5

About 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol

2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol (PubChem CID 110928879) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
PubChem CID110928879
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC Name2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
SMILESCc1nn(C)c(Cl)c1CNc1cnn(CCO)c1
InChIInChI=1S/C11H16ClN5O/c1-8-10(11(12)16(2)15-8)6-13-9-5-14-17(7-9)3-4-18/h5,7,13,18H,3-4,6H2,1-2H3
InChIKeyRXSCLYCZDYFRAH-UHFFFAOYSA-N
XLogP1.18
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122169134
2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol
CID 146104499
2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110019149
2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695053
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethoxyaniline
CID 115585039
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 115585074
2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol
CID 110928980
3-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-fluoroaniline
CID 103818410
2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride
CID 126964216
ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol
CID 171834591
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-fluoroaniline
CID 115584977

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol (CID 110928879) is 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol is Cc1nn(C)c(Cl)c1CNc1cnn(CCO)c1.
What is the InChIKey of 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol?
The InChIKey is RXSCLYCZDYFRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O/c1-8-10(11(12)16(2)15-8)6-13-9-5-14-17(7-9)3-4-18/h5,7,13,18H,3-4,6H2,1-2H3.
What are the key properties of 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol?
2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol has a molecular weight of 269.74 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110928879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).