1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide

C25H31FN6O — CID 42168881

IUPAC1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)NCC[C@@H]3CCCN3C)c2C(C)C)nc1-c1ccc(F)cc1
InChIInChI=1S/C25H31FN6O/c1-16(2)23-21(24(33)27-12-11-20-6-5-13-31(20)4)15-29-32(23)25-28-14-17(3)22(30-25)18-7-9-19(26)10-8-18/h7-10,14-16,20H,5-6,11-13H2,1-4H3,(H,27,33)/t20-/m0/s1
InChIKeyNSMAIYLIIXPYCM-FQEVSTJZSA-N
MW450.56 g/mol
LogP4.11
Rot. Bonds7

About 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide

1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42168881) has the molecular formula C25H31FN6O and a molecular weight of 450.56 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID42168881
Molecular FormulaC25H31FN6O
Molecular Weight450.56 g/mol
Exact Mass450.25
IUPAC Name1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)NCC[C@@H]3CCCN3C)c2C(C)C)nc1-c1ccc(F)cc1
InChIInChI=1S/C25H31FN6O/c1-16(2)23-21(24(33)27-12-11-20-6-5-13-31(20)4)15-29-32(23)25-28-14-17(3)22(30-25)18-7-9-19(26)10-8-18/h7-10,14-16,20H,5-6,11-13H2,1-4H3,(H,27,33)/t20-/m0/s1
InChIKeyNSMAIYLIIXPYCM-FQEVSTJZSA-N
XLogP4.11
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxylate
CID 26326133
2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]methanone
CID 45226908
[1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 26321669
N-ethyl-1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-thiophen-2-ylpyrazole-4-carboxamide
CID 26352902
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 42324218
N-(2,2-dimethyloxan-4-yl)-1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpyrazole-4-carboxamide
CID 45187802
2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70845742
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide
CID 42375886
2-amino-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,8-naphthyridine-3-carboxamide
CID 166390484
5-cyclopropyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide
CID 166621779
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide
CID 45166835
3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 110867653

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide (CID 42168881) is 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide is Cc1cnc(-n2ncc(C(=O)NCC[C@@H]3CCCN3C)c2C(C)C)nc1-c1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is NSMAIYLIIXPYCM-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H31FN6O/c1-16(2)23-21(24(33)27-12-11-20-6-5-13-31(20)4)15-29-32(23)25-28-14-17(3)22(30-25)18-7-9-19(26)10-8-18/h7-10,14-16,20H,5-6,11-13H2,1-4H3,(H,27,33)/t20-/m0/s1.
What are the key properties of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide?
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42168881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).