3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide

C18H20N6O2 — CID 153297955

IUPAC3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)Nc2cnn(C)c2)n([C@@H](C)c2ccccc2)n1
InChIInChI=1S/C18H20N6O2/c1-12(13-7-5-4-6-8-13)24-16(9-15(22-24)17(25)19-2)18(26)21-14-10-20-23(3)11-14/h4-12H,1-3H3,(H,19,25)(H,21,26)/t12-/m0/s1
InChIKeyCLJDTZYVXXYORE-LBPRGKRZSA-N
MW352.40 g/mol
LogP1.84
Rot. Bonds5

About 3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide

3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide (PubChem CID 153297955) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
PubChem CID153297955
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)Nc2cnn(C)c2)n([C@@H](C)c2ccccc2)n1
InChIInChI=1S/C18H20N6O2/c1-12(13-7-5-4-6-8-13)24-16(9-15(22-24)17(25)19-2)18(26)21-14-10-20-23(3)11-14/h4-12H,1-3H3,(H,19,25)(H,21,26)/t12-/m0/s1
InChIKeyCLJDTZYVXXYORE-LBPRGKRZSA-N
XLogP1.84
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide (CID 153297955) is 3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)Nc2cnn(C)c2)n([C@@H](C)c2ccccc2)n1.
What is the InChIKey of 3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
The InChIKey is CLJDTZYVXXYORE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-12(13-7-5-4-6-8-13)24-16(9-15(22-24)17(25)19-2)18(26)21-14-10-20-23(3)11-14/h4-12H,1-3H3,(H,19,25)(H,21,26)/t12-/m0/s1.
What are the key properties of 3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 153297955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).