N-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide

C23H20N4O3 — CID 655740

IUPACN-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1C
InChIInChI=1S/C23H20N4O3/c1-15-10-11-17(13-16(15)2)25-22(28)19-14-24-27(18-7-4-3-5-8-18)21(19)26-23(29)20-9-6-12-30-20/h3-14H,1-2H3,(H,25,28)(H,26,29)
InChIKeyOXXVLSREAPBDDJ-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.59
Rot. Bonds5

About N-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide

N-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide (PubChem CID 655740) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide
PubChem CID655740
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1C
InChIInChI=1S/C23H20N4O3/c1-15-10-11-17(13-16(15)2)25-22(28)19-14-24-27(18-7-4-3-5-8-18)21(19)26-23(29)20-9-6-12-30-20/h3-14H,1-2H3,(H,25,28)(H,26,29)
InChIKeyOXXVLSREAPBDDJ-UHFFFAOYSA-N
XLogP4.59
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[11-Ethyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),3,7,9-tetraen-7-yl]-3-(4-methylphenyl)urea
CID 44413359
N-(2-furylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 1037536
6-(2-Furyl)-1,5-bis(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one
CID 9550876
6-(2-furyl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15990607
6-(Furan-2-YL)-5-(3-methoxyphenyl)-1-(4-methylphenyl)-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 15990657
6-(2-furyl)-5-(3-methoxyphenyl)-1-(2-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15990894
N-(3-methyl-1-(4-oxo-1-(m-tolyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-1H-pyrazol-5-yl)benzofuran-2-carboxamide
CID 135880900
N-Furan-2-ylmethyl-2-(4-oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 646968
5-(2-furoylamino)-N-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 653788
N-[2-phenyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]furan-2-carboxamide
CID 1067684
5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 1067709
5-[(Furan-2-carbonyl)-amino]-1-phenyl-1H-pyrazole-4-carboxylic acid naphthalen-1-ylamide
CID 1284327

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide (CID 655740) is N-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide?
The InChIKey is OXXVLSREAPBDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-15-10-11-17(13-16(15)2)25-22(28)19-14-24-27(18-7-4-3-5-8-18)21(19)26-23(29)20-9-6-12-30-20/h3-14H,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide?
N-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 655740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).