1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide

C22H24N4O2 — CID 29097432

IUPAC1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide
SMILESC[C@@H](NC(=O)c1cn(C)nc1C(=O)N[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-15(17-10-6-4-7-11-17)23-21(27)19-14-26(3)25-20(19)22(28)24-16(2)18-12-8-5-9-13-18/h4-16H,1-3H3,(H,23,27)(H,24,28)/t15-,16-/m1/s1
InChIKeySRJMXFVXLAXVLP-HZPDHXFCSA-N
MW376.46 g/mol
LogP3.40
Rot. Bonds6

About 1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide

1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide (PubChem CID 29097432) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide.

Molecular Properties

Compound Name1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide
PubChem CID29097432
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide
SMILESC[C@@H](NC(=O)c1cn(C)nc1C(=O)N[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-15(17-10-6-4-7-11-17)23-21(27)19-14-26(3)25-20(19)22(28)24-16(2)18-12-8-5-9-13-18/h4-16H,1-3H3,(H,23,27)(H,24,28)/t15-,16-/m1/s1
InChIKeySRJMXFVXLAXVLP-HZPDHXFCSA-N
XLogP3.40
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 19262736
4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 107863890
3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 51853849
4-[1-(4-tert-butylphenyl)ethylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498617
3-(methoxymethyl)-1-methyl-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]pyrazole-4-carboxamide
CID 166244875
2-[[(1S)-1-phenylethyl]carbamoyl]benzoate
CID 6929624
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
1-methyl-4-nitro-N-[1-(4-phenoxyphenyl)ethyl]pyrazole-3-carboxamide
CID 75395693
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide?
The IUPAC name of 1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide (CID 29097432) is 1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide.
What is the SMILES notation for 1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide?
The canonical SMILES for 1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide is C[C@@H](NC(=O)c1cn(C)nc1C(=O)N[C@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide?
The InChIKey is SRJMXFVXLAXVLP-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(17-10-6-4-7-11-17)23-21(27)19-14-26(3)25-20(19)22(28)24-16(2)18-12-8-5-9-13-18/h4-16H,1-3H3,(H,23,27)(H,24,28)/t15-,16-/m1/s1.
What are the key properties of 1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide?
1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide is sourced from PubChem (CID 29097432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).