N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylthiophene-3-carboxamide

C17H23FN4OS — CID 128995028

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C
InChIInChI=1S/C17H23FN4OS/c1-12-10-24-11-16(12)17(23)20(2)8-15-6-13(18)7-22(15)9-14-4-5-19-21(14)3/h4-5,10-11,13,15H,6-9H2,1-3H3/t13-,15-/m0/s1
InChIKeyBENFZBPVRLQHPE-ZFWWWQNUSA-N
MW350.46 g/mol
LogP2.47
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylthiophene-3-carboxamide

N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylthiophene-3-carboxamide (PubChem CID 128995028) has the molecular formula C17H23FN4OS and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylthiophene-3-carboxamide
PubChem CID128995028
Molecular FormulaC17H23FN4OS
Molecular Weight350.46 g/mol
Exact Mass350.16
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C
InChIInChI=1S/C17H23FN4OS/c1-12-10-24-11-16(12)17(23)20(2)8-15-6-13(18)7-22(15)9-14-4-5-19-21(14)3/h4-5,10-11,13,15H,6-9H2,1-3H3/t13-,15-/m0/s1
InChIKeyBENFZBPVRLQHPE-ZFWWWQNUSA-N
XLogP2.47
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylthiophene-3-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-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,2-dimethylfuran-3-carboxamide
CID 128966832
1-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-methyl-3-thiophen-3-ylurea
CID 128969500
(2S)-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 129475216
1-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 122360340
1-[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 128966835
4-cyano-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]benzamide
CID 128974612
3-[2-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one
CID 128966813
6-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyridine-3-carbonitrile
CID 128967048
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methylthiophene-3-carboxamide
CID 128994040
3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 128973857
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,1,5-trimethylpyrrole-2-carboxamide
CID 128991310
trans-(1R,3R)-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methylsulfonylcyclohexan-1-amine
CID 124864063

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylthiophene-3-carboxamide (CID 128995028) is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylthiophene-3-carboxamide is Cc1cscc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylthiophene-3-carboxamide?
The InChIKey is BENFZBPVRLQHPE-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H23FN4OS/c1-12-10-24-11-16(12)17(23)20(2)8-15-6-13(18)7-22(15)9-14-4-5-19-21(14)3/h4-5,10-11,13,15H,6-9H2,1-3H3/t13-,15-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylthiophene-3-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylthiophene-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 128995028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).