3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-propylpyrazole-3,5-dicarboxamide

C17H22N4O2 — CID 146822183

IUPAC3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-propylpyrazole-3,5-dicarboxamide
SMILESCCCNC(=O)c1cc(C(=O)NC)nn1[C@@H](C)c1ccccc1
InChIInChI=1S/C17H22N4O2/c1-4-10-19-17(23)15-11-14(16(22)18-3)20-21(15)12(2)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,18,22)(H,19,23)/t12-/m0/s1
InChIKeySCGIYFPOPCABIL-LBPRGKRZSA-N
MW314.39 g/mol
LogP1.99
Rot. Bonds6

About 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-propylpyrazole-3,5-dicarboxamide

3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-propylpyrazole-3,5-dicarboxamide (PubChem CID 146822183) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-propylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-propylpyrazole-3,5-dicarboxamide
PubChem CID146822183
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-propylpyrazole-3,5-dicarboxamide
SMILESCCCNC(=O)c1cc(C(=O)NC)nn1[C@@H](C)c1ccccc1
InChIInChI=1S/C17H22N4O2/c1-4-10-19-17(23)15-11-14(16(22)18-3)20-21(15)12(2)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,18,22)(H,19,23)/t12-/m0/s1
InChIKeySCGIYFPOPCABIL-LBPRGKRZSA-N
XLogP1.99
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-propylpyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-propylpyrazole-3,5-dicarboxamide (CID 146822183) is 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-propylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-propylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-propylpyrazole-3,5-dicarboxamide is CCCNC(=O)c1cc(C(=O)NC)nn1[C@@H](C)c1ccccc1.
What is the InChIKey of 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-propylpyrazole-3,5-dicarboxamide?
The InChIKey is SCGIYFPOPCABIL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-10-19-17(23)15-11-14(16(22)18-3)20-21(15)12(2)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,18,22)(H,19,23)/t12-/m0/s1.
What are the key properties of 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-propylpyrazole-3,5-dicarboxamide?
3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-propylpyrazole-3,5-dicarboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-propylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 146822183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).