N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide

C23H23N5O3 — CID 134397032

IUPACN-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ccncc2)n1
InChIInChI=1S/C23H23N5O3/c1-15-13-20(28(27-15)18-9-11-24-12-10-18)22(30)26-19(14-16-5-3-2-4-6-16)21(29)23(31)25-17-7-8-17/h2-6,9-13,17,19H,7-8,14H2,1H3,(H,25,31)(H,26,30)
InChIKeyKYCAZUOBBIVZEX-UHFFFAOYSA-N
MW417.47 g/mol
LogP1.76
Rot. Bonds8

About N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide

N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide (PubChem CID 134397032) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide
PubChem CID134397032
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ccncc2)n1
InChIInChI=1S/C23H23N5O3/c1-15-13-20(28(27-15)18-9-11-24-12-10-18)22(30)26-19(14-16-5-3-2-4-6-16)21(29)23(31)25-17-7-8-17/h2-6,9-13,17,19H,7-8,14H2,1H3,(H,25,31)(H,26,30)
InChIKeyKYCAZUOBBIVZEX-UHFFFAOYSA-N
XLogP1.76
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide
CID 142753723
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[(benzylamino)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 134397170
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[4-(phenylmethoxymethyl)phenyl]pyrazole-3-carboxamide
CID 142753807
N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 134396793
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide
CID 165387000
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 142753795
3-[(5-methyl-2-pyridin-2-ylpyrazole-3-carbonyl)amino]-2-oxo-4-phenylbutanoic acid
CID 153386087
methyl N-[[4-[5-[[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate
CID 142753803
2-[3-(acetamidomethyl)phenyl]-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methylpyrazole-3-carboxamide
CID 134397013
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(2-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 134397037
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(3-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 134397042
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[(benzylamino)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 142316952

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide (CID 134397032) is N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ccncc2)n1.
What is the InChIKey of N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide?
The InChIKey is KYCAZUOBBIVZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-15-13-20(28(27-15)18-9-11-24-12-10-18)22(30)26-19(14-16-5-3-2-4-6-16)21(29)23(31)25-17-7-8-17/h2-6,9-13,17,19H,7-8,14H2,1H3,(H,25,31)(H,26,30).
What are the key properties of N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide?
N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 134397032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).