N-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1-(2-methyl-1H-imidazol-5-yl)propyl]-2-(2-fluoroethyl)pyrazole-3-carboxamide

C18H24F3N5O — CID 178160292

IUPACN-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1-(2-methyl-1H-imidazol-5-yl)propyl]-2-(2-fluoroethyl)pyrazole-3-carboxamide
SMILESCc1ncc(C(CCC2(C(C)(F)F)CC2)NC(=O)c2ccnn2CCF)[nH]1
InChIInChI=1S/C18H24F3N5O/c1-12-22-11-14(24-12)13(3-5-18(6-7-18)17(2,20)21)25-16(27)15-4-9-23-26(15)10-8-19/h4,9,11,13H,3,5-8,10H2,1-2H3,(H,22,24)(H,25,27)
InChIKeyZMKODVZXWQLQEK-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.57
Rot. Bonds9

About N-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1-(2-methyl-1H-imidazol-5-yl)propyl]-2-(2-fluoroethyl)pyrazole-3-carboxamide

N-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1-(2-methyl-1H-imidazol-5-yl)propyl]-2-(2-fluoroethyl)pyrazole-3-carboxamide (PubChem CID 178160292) has the molecular formula C18H24F3N5O and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1-(2-methyl-1H-imidazol-5-yl)propyl]-2-(2-fluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1-(2-methyl-1H-imidazol-5-yl)propyl]-2-(2-fluoroethyl)pyrazole-3-carboxamide
PubChem CID178160292
Molecular FormulaC18H24F3N5O
Molecular Weight383.42 g/mol
Exact Mass383.19
IUPAC NameN-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1-(2-methyl-1H-imidazol-5-yl)propyl]-2-(2-fluoroethyl)pyrazole-3-carboxamide
SMILESCc1ncc(C(CCC2(C(C)(F)F)CC2)NC(=O)c2ccnn2CCF)[nH]1
InChIInChI=1S/C18H24F3N5O/c1-12-22-11-14(24-12)13(3-5-18(6-7-18)17(2,20)21)25-16(27)15-4-9-23-26(15)10-8-19/h4,9,11,13H,3,5-8,10H2,1-2H3,(H,22,24)(H,25,27)
InChIKeyZMKODVZXWQLQEK-UHFFFAOYSA-N
XLogP3.57
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1-(2-methyl-1H-imidazol-5-yl)propyl]-2-(2-fluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1-(2-methyl-1H-imidazol-5-yl)propyl]-2-(2-fluoroethyl)pyrazole-3-carboxamide (CID 178160292) is N-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1-(2-methyl-1H-imidazol-5-yl)propyl]-2-(2-fluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1-(2-methyl-1H-imidazol-5-yl)propyl]-2-(2-fluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1-(2-methyl-1H-imidazol-5-yl)propyl]-2-(2-fluoroethyl)pyrazole-3-carboxamide is Cc1ncc(C(CCC2(C(C)(F)F)CC2)NC(=O)c2ccnn2CCF)[nH]1.
What is the InChIKey of N-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1-(2-methyl-1H-imidazol-5-yl)propyl]-2-(2-fluoroethyl)pyrazole-3-carboxamide?
The InChIKey is ZMKODVZXWQLQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5O/c1-12-22-11-14(24-12)13(3-5-18(6-7-18)17(2,20)21)25-16(27)15-4-9-23-26(15)10-8-19/h4,9,11,13H,3,5-8,10H2,1-2H3,(H,22,24)(H,25,27).
What are the key properties of N-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1-(2-methyl-1H-imidazol-5-yl)propyl]-2-(2-fluoroethyl)pyrazole-3-carboxamide?
N-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1-(2-methyl-1H-imidazol-5-yl)propyl]-2-(2-fluoroethyl)pyrazole-3-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1-(2-methyl-1H-imidazol-5-yl)propyl]-2-(2-fluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 178160292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).