N-[1-(3,5-difluorophenyl)cyclopropyl]-5-methyl-1-propylpyrazole-4-carboxamide

C17H19F2N3O — CID 77090380

IUPACN-[1-(3,5-difluorophenyl)cyclopropyl]-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC2(c3cc(F)cc(F)c3)CC2)c1C
InChIInChI=1S/C17H19F2N3O/c1-3-6-22-11(2)15(10-20-22)16(23)21-17(4-5-17)12-7-13(18)9-14(19)8-12/h7-10H,3-6H2,1-2H3,(H,21,23)
InChIKeyQCSOOZSPTVHUAZ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.30
Rot. Bonds5

About N-[1-(3,5-difluorophenyl)cyclopropyl]-5-methyl-1-propylpyrazole-4-carboxamide

N-[1-(3,5-difluorophenyl)cyclopropyl]-5-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 77090380) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)cyclopropyl]-5-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)cyclopropyl]-5-methyl-1-propylpyrazole-4-carboxamide
PubChem CID77090380
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-[1-(3,5-difluorophenyl)cyclopropyl]-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC2(c3cc(F)cc(F)c3)CC2)c1C
InChIInChI=1S/C17H19F2N3O/c1-3-6-22-11(2)15(10-20-22)16(23)21-17(4-5-17)12-7-13(18)9-14(19)8-12/h7-10H,3-6H2,1-2H3,(H,21,23)
InChIKeyQCSOOZSPTVHUAZ-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 97283275
N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
CID 19621017
(2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid
CID 97286145
N-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 74251416
5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide
CID 46968234
N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 1225270
N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114300573
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 98078761
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 72855145
5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide
CID 72864277
N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 97116423
N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 146043233

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)cyclopropyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)cyclopropyl]-5-methyl-1-propylpyrazole-4-carboxamide (CID 77090380) is N-[1-(3,5-difluorophenyl)cyclopropyl]-5-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)cyclopropyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)cyclopropyl]-5-methyl-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NC2(c3cc(F)cc(F)c3)CC2)c1C.
What is the InChIKey of N-[1-(3,5-difluorophenyl)cyclopropyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is QCSOOZSPTVHUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-3-6-22-11(2)15(10-20-22)16(23)21-17(4-5-17)12-7-13(18)9-14(19)8-12/h7-10H,3-6H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(3,5-difluorophenyl)cyclopropyl]-5-methyl-1-propylpyrazole-4-carboxamide?
N-[1-(3,5-difluorophenyl)cyclopropyl]-5-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)cyclopropyl]-5-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 77090380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).