N-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H17F3N4O — CID 106105031

IUPACN-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCn1ccc(CCNC(=O)C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C12H17F3N4O/c1-19-7-3-9(18-19)2-5-17-10(20)11(12(13,14)15)4-6-16-8-11/h3,7,16H,2,4-6,8H2,1H3,(H,17,20)
InChIKeyMQFXRHZONFHDCY-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.62
Rot. Bonds4

About N-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106105031) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106105031
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCn1ccc(CCNC(=O)C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C12H17F3N4O/c1-19-7-3-9(18-19)2-5-17-10(20)11(12(13,14)15)4-6-16-8-11/h3,7,16H,2,4-6,8H2,1H3,(H,17,20)
InChIKeyMQFXRHZONFHDCY-UHFFFAOYSA-N
XLogP0.62
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710927
N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106390785
N-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65232052
N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710909
N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708215
4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143984
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63958651
N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106896124
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708573
4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide
CID 106104420
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855
N-(furan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710906

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106105031) is N-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cn1ccc(CCNC(=O)C2(C(F)(F)F)CCNC2)n1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is MQFXRHZONFHDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-19-7-3-9(18-19)2-5-17-10(20)11(12(13,14)15)4-6-16-8-11/h3,7,16H,2,4-6,8H2,1H3,(H,17,20).
What are the key properties of N-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106105031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).