N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide

C24H29FN6O — CID 42375886

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C(C)C
InChIInChI=1S/C24H29FN6O/c1-4-30-13-7-8-17(30)14-27-23(32)19-15-28-31(22(19)16(2)3)24-26-12-11-21(29-24)18-9-5-6-10-20(18)25/h5-6,9-12,15-17H,4,7-8,13-14H2,1-3H3,(H,27,32)/t17-/m0/s1
InChIKeyWCOVICDXVWVMEJ-KRWDZBQOSA-N
MW436.54 g/mol
LogP3.81
Rot. Bonds7

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42375886) has the molecular formula C24H29FN6O and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID42375886
Molecular FormulaC24H29FN6O
Molecular Weight436.54 g/mol
Exact Mass436.24
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C(C)C
InChIInChI=1S/C24H29FN6O/c1-4-30-13-7-8-17(30)14-27-23(32)19-15-28-31(22(19)16(2)3)24-26-12-11-21(29-24)18-9-5-6-10-20(18)25/h5-6,9-12,15-17H,4,7-8,13-14H2,1-3H3,(H,27,32)/t17-/m0/s1
InChIKeyWCOVICDXVWVMEJ-KRWDZBQOSA-N
XLogP3.81
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide
CID 45199858
5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 45166348
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]methanone
CID 26321648
[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 30852659
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 125169936
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
5-cyclopropyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide
CID 166621779
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 42168881
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide
CID 71703495

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide (CID 42375886) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide is CCN1CCC[C@H]1CNC(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C(C)C.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is WCOVICDXVWVMEJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H29FN6O/c1-4-30-13-7-8-17(30)14-27-23(32)19-15-28-31(22(19)16(2)3)24-26-12-11-21(29-24)18-9-5-6-10-20(18)25/h5-6,9-12,15-17H,4,7-8,13-14H2,1-3H3,(H,27,32)/t17-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42375886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).