5-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide

C16H19FN4O — CID 118740164

IUPAC5-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1CCN(Cc2ccccc2F)C1
InChIInChI=1S/C16H19FN4O/c1-18-16(22)13-8-19-20-15(13)12-6-7-21(10-12)9-11-4-2-3-5-14(11)17/h2-5,8,12H,6-7,9-10H2,1H3,(H,18,22)(H,19,20)
InChIKeyJMLBGJKMKSDDQB-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.90
Rot. Bonds4

About 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide

5-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 118740164) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID118740164
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name5-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1CCN(Cc2ccccc2F)C1
InChIInChI=1S/C16H19FN4O/c1-18-16(22)13-8-19-20-15(13)12-6-7-21(10-12)9-11-4-2-3-5-14(11)17/h2-5,8,12H,6-7,9-10H2,1H3,(H,18,22)(H,19,20)
InChIKeyJMLBGJKMKSDDQB-UHFFFAOYSA-N
XLogP1.90
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

US10022354, Example 156
CID 121279662
US10022354, Example 155
CID 121279664
US10022354, Example 157
CID 121279666
N-({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)-4-fluorobenzamide
CID 16191911
5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide
CID 71937057
US10343992, Example 85
CID 122590691
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-{[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylpropanamide
CID 46990232
N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
CID 166206956
(2S,4R)-1-acetyl-4-fluoro-N-[(R)-(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 165138937
(2S)-1-(2-acetamidoacetyl)-N-[(4-cyclopropyl-3-fluorophenyl)-(1H-pyrazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 165140442
N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 39977902
3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide
CID 50948971

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide (CID 118740164) is 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide is CNC(=O)c1cn[nH]c1C1CCN(Cc2ccccc2F)C1.
What is the InChIKey of 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is JMLBGJKMKSDDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-18-16(22)13-8-19-20-15(13)12-6-7-21(10-12)9-11-4-2-3-5-14(11)17/h2-5,8,12H,6-7,9-10H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
5-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 118740164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).