trans-(1S,2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-fluorocyclopropane-1-carboxamide

C18H19F2N3O — CID 172633597

IUPACtrans-(1S,2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCn1nc(NC(=O)[C@@H]2C[C@H]2F)c(C2CCC2)c1-c1ccc(F)cc1
InChIInChI=1S/C18H19F2N3O/c1-23-16(11-5-7-12(19)8-6-11)15(10-3-2-4-10)17(22-23)21-18(24)13-9-14(13)20/h5-8,10,13-14H,2-4,9H2,1H3,(H,21,22,24)/t13-,14-/m1/s1
InChIKeyTULVWIUYSDVCKJ-ZIAGYGMSSA-N
MW331.37 g/mol
LogP3.79
Rot. Bonds4

About trans-(1S,2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-fluorocyclopropane-1-carboxamide

trans-(1S,2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 172633597) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is trans-(1S,2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID172633597
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Nametrans-(1S,2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCn1nc(NC(=O)[C@@H]2C[C@H]2F)c(C2CCC2)c1-c1ccc(F)cc1
InChIInChI=1S/C18H19F2N3O/c1-23-16(11-5-7-12(19)8-6-11)15(10-3-2-4-10)17(22-23)21-18(24)13-9-14(13)20/h5-8,10,13-14H,2-4,9H2,1H3,(H,21,22,24)/t13-,14-/m1/s1
InChIKeyTULVWIUYSDVCKJ-ZIAGYGMSSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-fluorocyclopropane-1-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-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 169169765
(2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,3,3-trimethylbutanamide
CID 172633541
(3S)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-methylpentanamide
CID 172633624
1-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-[(1S)-3,3-difluorocyclopentyl]urea
CID 169169761
(2S)-N-[4-cyclobutyl-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide
CID 172633618
N-[4-cyclobutyl-5-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide
CID 172633521
N-[4-cyclobutyl-5-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide
CID 169169856
(1S)-N-[5-(5-chlorothiophen-2-yl)-4-cyclobutyl-1-methylpyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169714
N-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide
CID 172633809
N-[4-cyclobutyl-5-(2-fluorophenyl)-1-methylpyrazol-3-yl]-1-(1,1-difluoroethyl)cyclopropane-1-carboxamide
CID 169169802
(1S)-N-[5-(3,3-difluorocyclobutyl)-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 169169816
N-[1-(cyanomethyl)-4-cyclobutyl-5-(4-fluorophenyl)pyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide
CID 172633567

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 172633597) is trans-(1S,2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-fluorocyclopropane-1-carboxamide is Cn1nc(NC(=O)[C@@H]2C[C@H]2F)c(C2CCC2)c1-c1ccc(F)cc1.
What is the InChIKey of trans-(1S,2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is TULVWIUYSDVCKJ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-23-16(11-5-7-12(19)8-6-11)15(10-3-2-4-10)17(22-23)21-18(24)13-9-14(13)20/h5-8,10,13-14H,2-4,9H2,1H3,(H,21,22,24)/t13-,14-/m1/s1.
What are the key properties of trans-(1S,2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-fluorocyclopropane-1-carboxamide?
trans-(1S,2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 172633597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).