5-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide

C20H24ClN5O — CID 40713324

IUPAC5-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H24ClN5O/c1-13(2)11-26-19(21)18(15(4)24-26)20(27)23-14(3)16-5-7-17(8-6-16)25-10-9-22-12-25/h5-10,12-14H,11H2,1-4H3,(H,23,27)/t14-/m1/s1
InChIKeyJFTLMSOFLHTVLK-CQSZACIVSA-N
MW385.90 g/mol
LogP4.18
Rot. Bonds6

About 5-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide

5-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 40713324) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID40713324
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name5-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H24ClN5O/c1-13(2)11-26-19(21)18(15(4)24-26)20(27)23-14(3)16-5-7-17(8-6-16)25-10-9-22-12-25/h5-10,12-14H,11H2,1-4H3,(H,23,27)/t14-/m1/s1
InChIKeyJFTLMSOFLHTVLK-CQSZACIVSA-N
XLogP4.18
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 9115159
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 31206996
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea
CID 25339932
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea
CID 33385512
5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 40713205
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide
CID 24819432
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide
CID 16574173
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 31207168

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 40713324) is 5-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide is Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 5-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is JFTLMSOFLHTVLK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24ClN5O/c1-13(2)11-26-19(21)18(15(4)24-26)20(27)23-14(3)16-5-7-17(8-6-16)25-10-9-22-12-25/h5-10,12-14H,11H2,1-4H3,(H,23,27)/t14-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
5-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 40713324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).