3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride

C8H13ClF2N4O — CID 119341237

IUPAC3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C8H12F2N4O.ClH/c9-6(10)5-14-4-2-7(13-14)12-8(15)1-3-11;/h2,4,6H,1,3,5,11H2,(H,12,13,15);1H
InChIKeyYFAXCPNIAALDGK-UHFFFAOYSA-N
MW254.67 g/mol
LogP0.86
Rot. Bonds5

About 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride

3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride (PubChem CID 119341237) has the molecular formula C8H13ClF2N4O and a molecular weight of 254.67 g/mol. Its IUPAC name is 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride
PubChem CID119341237
Molecular FormulaC8H13ClF2N4O
Molecular Weight254.67 g/mol
Exact Mass254.07
IUPAC Name3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C8H12F2N4O.ClH/c9-6(10)5-14-4-2-7(13-14)12-8(15)1-3-11;/h2,4,6H,1,3,5,11H2,(H,12,13,15);1H
InChIKeyYFAXCPNIAALDGK-UHFFFAOYSA-N
XLogP0.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide
CID 119341236
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015
4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871291
methyl 5-[[1-(2,2-difluoroethyl)pyrazol-3-yl]carbamoyl]pyridine-3-carboxylate
CID 71905723
1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine
CID 97338490
7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride
CID 119870128
7-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]heptanamide;hydrochloride
CID 119767680
1-(4-cyclobutyloxy-3-fluorophenyl)-3-[1-(2,2-difluoroethyl)pyrazol-3-yl]urea
CID 75524717
1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine
CID 115698091
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 154863063
4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
CID 120565170
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
CID 71978904

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride (CID 119341237) is 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride is Cl.NCCC(=O)Nc1ccn(CC(F)F)n1.
What is the InChIKey of 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride?
The InChIKey is YFAXCPNIAALDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4O.ClH/c9-6(10)5-14-4-2-7(13-14)12-8(15)1-3-11;/h2,4,6H,1,3,5,11H2,(H,12,13,15);1H.
What are the key properties of 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride?
3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride has a molecular weight of 254.67 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride is sourced from PubChem (CID 119341237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).