N-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide

C18H23F2N3O2 — CID 72898422

IUPACN-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NCc1cc(F)c(OC)c(F)c1
InChIInChI=1S/C18H23F2N3O2/c1-5-23-16(9-13(22-23)6-11(2)3)18(24)21-10-12-7-14(19)17(25-4)15(20)8-12/h7-9,11H,5-6,10H2,1-4H3,(H,21,24)
InChIKeyFWQTZDVORIUVDH-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.32
Rot. Bonds7

About N-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide

N-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 72898422) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID72898422
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC NameN-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NCc1cc(F)c(OC)c(F)c1
InChIInChI=1S/C18H23F2N3O2/c1-5-23-16(9-13(22-23)6-11(2)3)18(24)21-10-12-7-14(19)17(25-4)15(20)8-12/h7-9,11H,5-6,10H2,1-4H3,(H,21,24)
InChIKeyFWQTZDVORIUVDH-UHFFFAOYSA-N
XLogP3.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72864861
1-ethyl-N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131889543
(2R,3S)-2-[[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]amino]-3-hydroxybutanoic acid
CID 72912017
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72905914
N-[(3-chloro-4-fluorophenyl)methyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70780811
1-ethyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131904122
1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide
CID 97110787
N-(4-amino-2-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66122010
1-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131935945
1-ethyl-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70730522
1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131924947
1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 77092549

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 72898422) is N-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide is CCn1nc(CC(C)C)cc1C(=O)NCc1cc(F)c(OC)c(F)c1.
What is the InChIKey of N-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is FWQTZDVORIUVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c1-5-23-16(9-13(22-23)6-11(2)3)18(24)21-10-12-7-14(19)17(25-4)15(20)8-12/h7-9,11H,5-6,10H2,1-4H3,(H,21,24).
What are the key properties of N-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
N-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 72898422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).