[(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium

C21H24ClN4O+ — CID 9334966

IUPAC[(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN4O/c1-14(17-9-11-18(22)12-10-17)23-13-20(27)24-21-15(2)25-26(16(21)3)19-7-5-4-6-8-19/h4-12,14,23H,13H2,1-3H3,(H,24,27)/p+1/t14-/m1/s1
InChIKeyQMDLHVOPAMKZIB-CQSZACIVSA-O
MW383.90 g/mol
LogP3.41
Rot. Bonds6

About [(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium

[(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium (PubChem CID 9334966) has the molecular formula C21H24ClN4O+ and a molecular weight of 383.90 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium
PubChem CID9334966
Molecular FormulaC21H24ClN4O+
Molecular Weight383.90 g/mol
Exact Mass383.16
IUPAC Name[(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN4O/c1-14(17-9-11-18(22)12-10-17)23-13-20(27)24-21-15(2)25-26(16(21)3)19-7-5-4-6-8-19/h4-12,14,23H,13H2,1-3H3,(H,24,27)/p+1/t14-/m1/s1
InChIKeyQMDLHVOPAMKZIB-CQSZACIVSA-O
XLogP3.41
TPSA63.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8897851
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9334963
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132476
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9307551
N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]acetamide
CID 86804923
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9253778
3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 16575175
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 16575388
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392246
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
2-(4-chloro-2-fluoroanilino)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 26508445
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 112788270

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium (CID 9334966) is [(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium is Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium?
The InChIKey is QMDLHVOPAMKZIB-CQSZACIVSA-O. The full InChI is InChI=1S/C21H23ClN4O/c1-14(17-9-11-18(22)12-10-17)23-13-20(27)24-21-15(2)25-26(16(21)3)19-7-5-4-6-8-19/h4-12,14,23H,13H2,1-3H3,(H,24,27)/p+1/t14-/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium?
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium has a molecular weight of 383.90 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 9334966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).