5-chloro-N-[2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-dimethylpyrazole-4-carboxamide

C21H24Cl2N6O2 — CID 47080414

IUPAC5-chloro-N-[2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)NCC(Cc1ccccc1)NC(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C21H24Cl2N6O2/c1-12-16(18(22)28(3)26-12)20(30)24-11-15(10-14-8-6-5-7-9-14)25-21(31)17-13(2)27-29(4)19(17)23/h5-9,15H,10-11H2,1-4H3,(H,24,30)(H,25,31)
InChIKeyHVIYWFANRAVQEV-UHFFFAOYSA-N
MW463.37 g/mol
LogP2.85
Rot. Bonds7

About 5-chloro-N-[2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-dimethylpyrazole-4-carboxamide

5-chloro-N-[2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 47080414) has the molecular formula C21H24Cl2N6O2 and a molecular weight of 463.37 g/mol. Its IUPAC name is 5-chloro-N-[2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID47080414
Molecular FormulaC21H24Cl2N6O2
Molecular Weight463.37 g/mol
Exact Mass462.13
IUPAC Name5-chloro-N-[2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)NCC(Cc1ccccc1)NC(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C21H24Cl2N6O2/c1-12-16(18(22)28(3)26-12)20(30)24-11-15(10-14-8-6-5-7-9-14)25-21(31)17-13(2)27-29(4)19(17)23/h5-9,15H,10-11H2,1-4H3,(H,24,30)(H,25,31)
InChIKeyHVIYWFANRAVQEV-UHFFFAOYSA-N
XLogP2.85
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 119233638
N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 114300362
5-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 51150469
methyl (2S)-2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate
CID 40567651
1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide
CID 78803331
5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 51312965
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 107861204
5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide
CID 24652393
5-chloro-N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 1482897
N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 78839583
1-benzyl-5-chloro-N-(2-hydroxyethyl)-3-methylpyrazole-4-carboxamide
CID 78800646
5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-dimethylpyrazole-4-carboxamide (CID 47080414) is 5-chloro-N-[2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(Cl)c1C(=O)NCC(Cc1ccccc1)NC(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of 5-chloro-N-[2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is HVIYWFANRAVQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N6O2/c1-12-16(18(22)28(3)26-12)20(30)24-11-15(10-14-8-6-5-7-9-14)25-21(31)17-13(2)27-29(4)19(17)23/h5-9,15H,10-11H2,1-4H3,(H,24,30)(H,25,31).
What are the key properties of 5-chloro-N-[2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-dimethylpyrazole-4-carboxamide?
5-chloro-N-[2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 463.37 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 47080414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).