N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide

C15H19FN6O — CID 128974309

IUPACN-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)c1ccn[nH]1
InChIInChI=1S/C15H19FN6O/c1-21(15(23)14-2-3-19-20-14)9-13-4-12(16)8-22(13)7-11-5-17-10-18-6-11/h2-3,5-6,10,12-13H,4,7-9H2,1H3,(H,19,20)/t12-,13-/m0/s1
InChIKeyZTMXLNAVFMJVMG-STQMWFEESA-N
MW318.36 g/mol
LogP0.88
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide

N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 128974309) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID128974309
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)c1ccn[nH]1
InChIInChI=1S/C15H19FN6O/c1-21(15(23)14-2-3-19-20-14)9-13-4-12(16)8-22(13)7-11-5-17-10-18-6-11/h2-3,5-6,10,12-13H,4,7-9H2,1H3,(H,19,20)/t12-,13-/m0/s1
InChIKeyZTMXLNAVFMJVMG-STQMWFEESA-N
XLogP0.88
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-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

(1-Ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6465535
N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
CID 165130041
(2-Methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770296
US9663526, Example 2
CID 118878202
US9932325, Example 130
CID 132244703
US10022354, Example 197
CID 121279738
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 91911067
US10022354, Example 100
CID 121279607
(5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20906482
2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide
CID 28785555
[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 53566469
(2-Methylpyrimidin-4-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53568140

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 128974309) is N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide is CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)c1ccn[nH]1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is ZTMXLNAVFMJVMG-STQMWFEESA-N. The full InChI is InChI=1S/C15H19FN6O/c1-21(15(23)14-2-3-19-20-14)9-13-4-12(16)8-22(13)7-11-5-17-10-18-6-11/h2-3,5-6,10,12-13H,4,7-9H2,1H3,(H,19,20)/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide?
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 318.36 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 128974309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).