(3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C16H23F3N4O — CID 100675610

IUPAC(3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESC[C@@H](C1CC1)n1cc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cn1
InChIInChI=1S/C16H23F3N4O/c1-10(11-4-5-11)23-9-12(8-20-23)21-14(24)22-7-6-13(15(22,2)3)16(17,18)19/h8-11,13H,4-7H2,1-3H3,(H,21,24)/t10-,13-/m0/s1
InChIKeyREGRFAAJAQGOST-GWCFXTLKSA-N
MW344.38 g/mol
LogP4.05
Rot. Bonds3

About (3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide

(3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 100675610) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is (3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID100675610
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name(3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESC[C@@H](C1CC1)n1cc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cn1
InChIInChI=1S/C16H23F3N4O/c1-10(11-4-5-11)23-9-12(8-20-23)21-14(24)22-7-6-13(15(22,2)3)16(17,18)19/h8-11,13H,4-7H2,1-3H3,(H,21,24)/t10-,13-/m0/s1
InChIKeyREGRFAAJAQGOST-GWCFXTLKSA-N
XLogP4.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 100675610) is (3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide is C[C@@H](C1CC1)n1cc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cn1.
What is the InChIKey of (3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is REGRFAAJAQGOST-GWCFXTLKSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-10(11-4-5-11)23-9-12(8-20-23)21-14(24)22-7-6-13(15(22,2)3)16(17,18)19/h8-11,13H,4-7H2,1-3H3,(H,21,24)/t10-,13-/m0/s1.
What are the key properties of (3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
(3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 100675610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).