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

C14H17FN6O — CID 128969793

IUPACN-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)c1ccn[nH]1
InChIInChI=1S/C14H17FN6O/c1-20(14(22)12-2-5-18-19-12)8-11-6-10(15)7-21(11)13-3-4-16-9-17-13/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t10-,11-/m0/s1
InChIKeyLNYWLMYNBRKCRL-QWRGUYRKSA-N
MW304.33 g/mol
LogP0.89
Rot. Bonds4

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

N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 128969793) has the molecular formula C14H17FN6O and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID128969793
Molecular FormulaC14H17FN6O
Molecular Weight304.33 g/mol
Exact Mass304.14
IUPAC NameN-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)c1ccn[nH]1
InChIInChI=1S/C14H17FN6O/c1-20(14(22)12-2-5-18-19-12)8-11-6-10(15)7-21(11)13-3-4-16-9-17-13/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t10-,11-/m0/s1
InChIKeyLNYWLMYNBRKCRL-QWRGUYRKSA-N
XLogP0.89
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

(1-Ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6465535
(2-Methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770296
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 89705098
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
[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(1H-pyrazol-5-yl)methanone
CID 53624136
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779749

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 128969793) is N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide is CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)c1ccn[nH]1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is LNYWLMYNBRKCRL-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H17FN6O/c1-20(14(22)12-2-5-18-19-12)8-11-6-10(15)7-21(11)13-3-4-16-9-17-13/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t10-,11-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide?
N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 0.89, 4 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-4-ylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 128969793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).