5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide

C16H17FN4O2 — CID 142417926

IUPAC5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN4O2/c1-18-15(22)13-8-14(16(23)19-12-6-7-12)21(20-13)9-10-2-4-11(17)5-3-10/h2-5,8,12H,6-7,9H2,1H3,(H,18,22)(H,19,23)
InChIKeyNJKXQNGBLRIYEC-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.32
Rot. Bonds5

About 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide

5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide (PubChem CID 142417926) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide
PubChem CID142417926
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN4O2/c1-18-15(22)13-8-14(16(23)19-12-6-7-12)21(20-13)9-10-2-4-11(17)5-3-10/h2-5,8,12H,6-7,9H2,1H3,(H,18,22)(H,19,23)
InChIKeyNJKXQNGBLRIYEC-UHFFFAOYSA-N
XLogP1.32
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide
CID 146962352
5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide
CID 142418136
1-[[2-[(Z)-but-1-enyl]-3-methylphenyl]methyl]-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide;ethane
CID 142418203
1-[(4-acetylphenyl)methyl]-N-(4-tert-butylcyclohexyl)-3-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide
CID 70954661
5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid
CID 117218440
4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877117
5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 82301432
2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 166296875
N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 41248002
1-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]ethanone
CID 139467373
1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide
CID 142418199
5-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)-1H-pyrazole-3-carboxamide
CID 169082724

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide (CID 142417926) is 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CC2)n(Cc2ccc(F)cc2)n1.
What is the InChIKey of 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide?
The InChIKey is NJKXQNGBLRIYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-18-15(22)13-8-14(16(23)19-12-6-7-12)21(20-13)9-10-2-4-11(17)5-3-10/h2-5,8,12H,6-7,9H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide?
5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide has a molecular weight of 316.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 142417926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).