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

C21H23N5O2 — CID 142418210

IUPAC3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCc2ccccn2)n([C@@H](C)c2ccccc2)n1
InChIInChI=1S/C21H23N5O2/c1-15(16-8-4-3-5-9-16)26-19(14-18(25-26)20(27)22-2)21(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,14-15H,11,13H2,1-2H3,(H,22,27)(H,24,28)/t15-/m0/s1
InChIKeyPAYUDXKVEUSOFV-HNNXBMFYSA-N
MW377.45 g/mol
LogP2.22
Rot. Bonds7

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

3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide (PubChem CID 142418210) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide
PubChem CID142418210
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCc2ccccn2)n([C@@H](C)c2ccccc2)n1
InChIInChI=1S/C21H23N5O2/c1-15(16-8-4-3-5-9-16)26-19(14-18(25-26)20(27)22-2)21(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,14-15H,11,13H2,1-2H3,(H,22,27)(H,24,28)/t15-/m0/s1
InChIKeyPAYUDXKVEUSOFV-HNNXBMFYSA-N
XLogP2.22
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(3,3-diethoxypropyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 135318596
5-N-(cyclopropylmethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 142418016
5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
CID 167262141
6-(1-phenylethyl)-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 42797254
6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 7306888
5-N-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 147499857
3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 153297955
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
1-[(1S)-1-cyclohexa-1,5-dien-1-ylethyl]-3-N-methyl-5-N-(2-pyridin-4-ylethyl)pyrazole-3,5-dicarboxamide
CID 167262428
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid
CID 167262385

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide (CID 142418210) is 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NCCc2ccccn2)n([C@@H](C)c2ccccc2)n1.
What is the InChIKey of 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide?
The InChIKey is PAYUDXKVEUSOFV-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15(16-8-4-3-5-9-16)26-19(14-18(25-26)20(27)22-2)21(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,14-15H,11,13H2,1-2H3,(H,22,27)(H,24,28)/t15-/m0/s1.
What are the key properties of 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide?
3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 142418210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).