trans-(1S,2S)-N-[(4-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C15H16FN3O3S — CID 95317783

IUPACtrans-(1S,2S)-N-[(4-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@H]2C[C@@H]2C(=O)NS(=O)(=O)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C15H16FN3O3S/c1-19-8-11(7-17-19)13-6-14(13)15(20)18-23(21,22)9-10-2-4-12(16)5-3-10/h2-5,7-8,13-14H,6,9H2,1H3,(H,18,20)/t13-,14+/m1/s1
InChIKeyBVCWKWNNCUWGJR-KGLIPLIRSA-N
MW337.38 g/mol
LogP1.31
Rot. Bonds5

About trans-(1S,2S)-N-[(4-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[(4-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 95317783) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(4-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(4-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID95317783
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Nametrans-(1S,2S)-N-[(4-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@H]2C[C@@H]2C(=O)NS(=O)(=O)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C15H16FN3O3S/c1-19-8-11(7-17-19)13-6-14(13)15(20)18-23(21,22)9-10-2-4-12(16)5-3-10/h2-5,7-8,13-14H,6,9H2,1H3,(H,18,20)/t13-,14+/m1/s1
InChIKeyBVCWKWNNCUWGJR-KGLIPLIRSA-N
XLogP1.31
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2S)-N-[(4-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)cyclopropane-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

[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590717
(3R,4S)-N-[(4-fluoro-3-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120920516
(3R,4S)-N-(2-benzylsulfonylethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120928077
N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 71935713
(3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936507
(3R,4S)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120923728
trans-(1R,2R)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 126810964
(3R,4S)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120919863
(3R,4S)-N-[(4-bromo-3-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120928577
trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95049899
2-methyl-1-[2-(1-methylpyrazol-4-yl)cyclopropyl]propan-1-one
CID 139468604
(3R,4S)-N-[[4-(ethylsulfamoyl)phenyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120937469

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(4-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(4-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 95317783) is trans-(1S,2S)-N-[(4-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(4-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(4-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cn1cc([C@H]2C[C@@H]2C(=O)NS(=O)(=O)Cc2ccc(F)cc2)cn1.
What is the InChIKey of trans-(1S,2S)-N-[(4-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is BVCWKWNNCUWGJR-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-19-8-11(7-17-19)13-6-14(13)15(20)18-23(21,22)9-10-2-4-12(16)5-3-10/h2-5,7-8,13-14H,6,9H2,1H3,(H,18,20)/t13-,14+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[(4-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(4-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(4-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95317783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).