4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

C10H15ClF2N4O — CID 120955234

IUPAC4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CC(F)(F)CN1)c1cn[nH]c1.Cl
InChIInChI=1S/C10H14F2N4O.ClH/c1-6(7-3-14-15-4-7)16-9(17)8-2-10(11,12)5-13-8;/h3-4,6,8,13H,2,5H2,1H3,(H,14,15)(H,16,17);1H
InChIKeyKSORTHVPQPNZTO-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.01
Rot. Bonds3

About 4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120955234) has the molecular formula C10H15ClF2N4O and a molecular weight of 280.71 g/mol. Its IUPAC name is 4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120955234
Molecular FormulaC10H15ClF2N4O
Molecular Weight280.71 g/mol
Exact Mass280.09
IUPAC Name4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CC(F)(F)CN1)c1cn[nH]c1.Cl
InChIInChI=1S/C10H14F2N4O.ClH/c1-6(7-3-14-15-4-7)16-9(17)8-2-10(11,12)5-13-8;/h3-4,6,8,13H,2,5H2,1H3,(H,14,15)(H,16,17);1H
InChIKeyKSORTHVPQPNZTO-UHFFFAOYSA-N
XLogP1.01
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 119069590
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442
2,2,2-trifluoroethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 53588608
2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855822
5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103856082
2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856370
4,4,4-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856494
3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856620
N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106212818
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212822
2,2,3,3,3-pentafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106216846
3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)propanamide
CID 106217629

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 120955234) is 4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is CC(NC(=O)C1CC(F)(F)CN1)c1cn[nH]c1.Cl.
What is the InChIKey of 4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is KSORTHVPQPNZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O.ClH/c1-6(7-3-14-15-4-7)16-9(17)8-2-10(11,12)5-13-8;/h3-4,6,8,13H,2,5H2,1H3,(H,14,15)(H,16,17);1H.
What are the key properties of 4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 280.71 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120955234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).