5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide

C18H24N4O2 — CID 167262141

IUPAC5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
SMILESCC[C@H](C)NC(=O)c1cc(C(=O)NC)nn1C(C)c1ccccc1
InChIInChI=1S/C18H24N4O2/c1-5-12(2)20-18(24)16-11-15(17(23)19-4)21-22(16)13(3)14-9-7-6-8-10-14/h6-13H,5H2,1-4H3,(H,19,23)(H,20,24)/t12-,13?/m0/s1
InChIKeyBXEMMUBNPWQDOA-UEWDXFNNSA-N
MW328.42 g/mol
LogP2.38
Rot. Bonds6

About 5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide

5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide (PubChem CID 167262141) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
PubChem CID167262141
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
SMILESCC[C@H](C)NC(=O)c1cc(C(=O)NC)nn1C(C)c1ccccc1
InChIInChI=1S/C18H24N4O2/c1-5-12(2)20-18(24)16-11-15(17(23)19-4)21-22(16)13(3)14-9-7-6-8-10-14/h6-13H,5H2,1-4H3,(H,19,23)(H,20,24)/t12-,13?/m0/s1
InChIKeyBXEMMUBNPWQDOA-UEWDXFNNSA-N
XLogP2.38
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(cyclopropylmethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 142418016
3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid
CID 167262660
5-N-(3,3-diethoxypropyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 135318596
5-N-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 147499857
3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide
CID 142418210
3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 153297955
5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
CID 147349873
1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid
CID 167262385
N,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide
CID 167263143
methoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
CID 142418233
N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-[(1R)-1-phenylethyl]-3-propanoylpyrazole-5-carboxamide
CID 159744127
5-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide
CID 153297978

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide (CID 167262141) is 5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide is CC[C@H](C)NC(=O)c1cc(C(=O)NC)nn1C(C)c1ccccc1.
What is the InChIKey of 5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide?
The InChIKey is BXEMMUBNPWQDOA-UEWDXFNNSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-12(2)20-18(24)16-11-15(17(23)19-4)21-22(16)13(3)14-9-7-6-8-10-14/h6-13H,5H2,1-4H3,(H,19,23)(H,20,24)/t12-,13?/m0/s1.
What are the key properties of 5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide?
5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 167262141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).