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

C16H16FN5O — CID 19515649

IUPAC3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C16H16FN5O/c1-21(9-11-8-18-22(2)10-11)16(23)15-7-14(19-20-15)12-3-5-13(17)6-4-12/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyMUFROJJMEKNBAJ-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.22
Rot. Bonds4

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

3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 19515649) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID19515649
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C16H16FN5O/c1-21(9-11-8-18-22(2)10-11)16(23)15-7-14(19-20-15)12-3-5-13(17)6-4-12/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyMUFROJJMEKNBAJ-UHFFFAOYSA-N
XLogP2.22
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19515538
2-amino-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63110187
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037064
1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 31843746
N-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 19515494
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
5-amino-2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61114879
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31850784
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95308695
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 19515423

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (CID 19515649) is 3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is MUFROJJMEKNBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-21(9-11-8-18-22(2)10-11)16(23)15-7-14(19-20-15)12-3-5-13(17)6-4-12/h3-8,10H,9H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19515649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).