2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride

C12H18ClF2N5O — CID 126967551

IUPAC2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride
SMILESCc1c(CNc2ccn(CCO)n2)cnn1CC(F)F.Cl
InChIInChI=1S/C12H17F2N5O.ClH/c1-9-10(7-16-19(9)8-11(13)14)6-15-12-2-3-18(17-12)4-5-20;/h2-3,7,11,20H,4-6,8H2,1H3,(H,15,17);1H
InChIKeyNVJWDWGAFWIOFV-UHFFFAOYSA-N
MW321.76 g/mol
LogP1.68
Rot. Bonds7

About 2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride

2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride (PubChem CID 126967551) has the molecular formula C12H18ClF2N5O and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride
PubChem CID126967551
Molecular FormulaC12H18ClF2N5O
Molecular Weight321.76 g/mol
Exact Mass321.12
IUPAC Name2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride
SMILESCc1c(CNc2ccn(CCO)n2)cnn1CC(F)F.Cl
InChIInChI=1S/C12H17F2N5O.ClH/c1-9-10(7-16-19(9)8-11(13)14)6-15-12-2-3-18(17-12)4-5-20;/h2-3,7,11,20H,4-6,8H2,1H3,(H,15,17);1H
InChIKeyNVJWDWGAFWIOFV-UHFFFAOYSA-N
XLogP1.68
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride with MolForge

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Related Compounds

N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride
CID 126967623
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126967207
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine
CID 19626352
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine
CID 122167787
2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166769
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122167804
2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride
CID 126965228
2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122167078
2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166587
3-[[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]methyl]phenol
CID 122168771
2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 122168607
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(5-fluorothiophen-2-yl)methanamine
CID 122165826

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride (CID 126967551) is 2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride is Cc1c(CNc2ccn(CCO)n2)cnn1CC(F)F.Cl.
What is the InChIKey of 2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride?
The InChIKey is NVJWDWGAFWIOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N5O.ClH/c1-9-10(7-16-19(9)8-11(13)14)6-15-12-2-3-18(17-12)4-5-20;/h2-3,7,11,20H,4-6,8H2,1H3,(H,15,17);1H.
What are the key properties of 2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride?
2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride has a molecular weight of 321.76 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 126967551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).