N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide

C27H28N4O — CID 9392246

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
SMILESCc1ccc([C@H](NCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c2ccccc2)cc1
InChIInChI=1S/C27H28N4O/c1-19-14-16-23(17-15-19)27(22-10-6-4-7-11-22)28-18-25(32)29-26-20(2)30-31(21(26)3)24-12-8-5-9-13-24/h4-17,27-28H,18H2,1-3H3,(H,29,32)/t27-/m1/s1
InChIKeyPQCHCFYQHVBSLI-HHHXNRCGSA-N
MW424.55 g/mol
LogP5.12
Rot. Bonds7

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide (PubChem CID 9392246) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
PubChem CID9392246
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
SMILESCc1ccc([C@H](NCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c2ccccc2)cc1
InChIInChI=1S/C27H28N4O/c1-19-14-16-23(17-15-19)27(22-10-6-4-7-11-22)28-18-25(32)29-26-20(2)30-31(21(26)3)24-12-8-5-9-13-24/h4-17,27-28H,18H2,1-3H3,(H,29,32)/t27-/m1/s1
InChIKeyPQCHCFYQHVBSLI-HHHXNRCGSA-N
XLogP5.12
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755864
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755862
2-benzhydrylsulfanyl-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 24659414
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528207
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9334963
N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393022
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9307551
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8897851
N-(2,6-difluorophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392689
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylphenyl)acetamide
CID 24659529

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide (CID 9392246) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide is Cc1ccc([C@H](NCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c2ccccc2)cc1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The InChIKey is PQCHCFYQHVBSLI-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H28N4O/c1-19-14-16-23(17-15-19)27(22-10-6-4-7-11-22)28-18-25(32)29-26-20(2)30-31(21(26)3)24-12-8-5-9-13-24/h4-17,27-28H,18H2,1-3H3,(H,29,32)/t27-/m1/s1.
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide has a molecular weight of 424.55 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide is sourced from PubChem (CID 9392246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).