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

C17H25FN6O — CID 128994197

IUPACN-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1
InChIInChI=1S/C17H25FN6O/c1-12-16(11-23(4)20-12)17(25)21(2)10-15-5-14(18)9-24(15)8-13-6-19-22(3)7-13/h6-7,11,14-15H,5,8-10H2,1-4H3/t14-,15-/m0/s1
InChIKeyRPVLKOSETKLTMB-GJZGRUSLSA-N
MW348.43 g/mol
LogP1.15
Rot. Bonds5

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

N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide (PubChem CID 128994197) has the molecular formula C17H25FN6O and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide
PubChem CID128994197
Molecular FormulaC17H25FN6O
Molecular Weight348.43 g/mol
Exact Mass348.21
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1
InChIInChI=1S/C17H25FN6O/c1-12-16(11-23(4)20-12)17(25)21(2)10-15-5-14(18)9-24(15)8-13-6-19-22(3)7-13/h6-7,11,14-15H,5,8-10H2,1-4H3/t14-,15-/m0/s1
InChIKeyRPVLKOSETKLTMB-GJZGRUSLSA-N
XLogP1.15
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide (CID 128994197) is N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide?
The InChIKey is RPVLKOSETKLTMB-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H25FN6O/c1-12-16(11-23(4)20-12)17(25)21(2)10-15-5-14(18)9-24(15)8-13-6-19-22(3)7-13/h6-7,11,14-15H,5,8-10H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 128994197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).