2-cyclopropyl-N-[(3S,4R)-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]acetamide

C17H23F3N4O2 — CID 138049156

IUPAC2-cyclopropyl-N-[(3S,4R)-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]acetamide
SMILESCC(C)n1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NC(=O)CC3CC3)C2)cn1
InChIInChI=1S/C17H23F3N4O2/c1-10(2)24-7-12(6-21-24)16(26)23-8-13(17(18,19)20)14(9-23)22-15(25)5-11-3-4-11/h6-7,10-11,13-14H,3-5,8-9H2,1-2H3,(H,22,25)/t13-,14-/m1/s1
InChIKeyHQTSXTOZLWZZPH-ZIAGYGMSSA-N
MW372.39 g/mol
LogP2.38
Rot. Bonds5

About 2-cyclopropyl-N-[(3S,4R)-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]acetamide

2-cyclopropyl-N-[(3S,4R)-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]acetamide (PubChem CID 138049156) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3S,4R)-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3S,4R)-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]acetamide
PubChem CID138049156
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name2-cyclopropyl-N-[(3S,4R)-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]acetamide
SMILESCC(C)n1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NC(=O)CC3CC3)C2)cn1
InChIInChI=1S/C17H23F3N4O2/c1-10(2)24-7-12(6-21-24)16(26)23-8-13(17(18,19)20)14(9-23)22-15(25)5-11-3-4-11/h6-7,10-11,13-14H,3-5,8-9H2,1-2H3,(H,22,25)/t13-,14-/m1/s1
InChIKeyHQTSXTOZLWZZPH-ZIAGYGMSSA-N
XLogP2.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3S,4R)-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[(3S,4R)-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]acetamide (CID 138049156) is 2-cyclopropyl-N-[(3S,4R)-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3S,4R)-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[(3S,4R)-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]acetamide is CC(C)n1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NC(=O)CC3CC3)C2)cn1.
What is the InChIKey of 2-cyclopropyl-N-[(3S,4R)-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is HQTSXTOZLWZZPH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c1-10(2)24-7-12(6-21-24)16(26)23-8-13(17(18,19)20)14(9-23)22-15(25)5-11-3-4-11/h6-7,10-11,13-14H,3-5,8-9H2,1-2H3,(H,22,25)/t13-,14-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(3S,4R)-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]acetamide?
2-cyclopropyl-N-[(3S,4R)-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 372.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3S,4R)-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 138049156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).