N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H15F3N4O — CID 106212818

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1(C(F)(F)F)CCNC1)c1cn[nH]c1
InChIInChI=1S/C11H15F3N4O/c1-7(8-4-16-17-5-8)18-9(19)10(11(12,13)14)2-3-15-6-10/h4-5,7,15H,2-3,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyJLYPBIHUMHTTFH-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.13
Rot. Bonds3

About N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106212818) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106212818
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1(C(F)(F)F)CCNC1)c1cn[nH]c1
InChIInChI=1S/C11H15F3N4O/c1-7(8-4-16-17-5-8)18-9(19)10(11(12,13)14)2-3-15-6-10/h4-5,7,15H,2-3,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyJLYPBIHUMHTTFH-UHFFFAOYSA-N
XLogP1.13
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 86808415
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227640
N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710055
N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64047506
N-methyl-5-oxo-N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 64054370
4,4,4-trifluoro-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 65711585
4,4,4-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 65711586
N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 80682889
3-(2,2-difluoroethoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103526217
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106212818) is N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(NC(=O)C1(C(F)(F)F)CCNC1)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is JLYPBIHUMHTTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-7(8-4-16-17-5-8)18-9(19)10(11(12,13)14)2-3-15-6-10/h4-5,7,15H,2-3,6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106212818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).