N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide

C22H21N5O3 — CID 667178

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[nH]n2)c(O)c1
InChIInChI=1S/C22H21N5O3/c1-13-9-10-16(19(28)11-13)17-12-18(25-24-17)21(29)23-20-14(2)26(3)27(22(20)30)15-7-5-4-6-8-15/h4-12,28H,1-3H3,(H,23,29)(H,24,25)
InChIKeyLBFWDYHWPUWYFS-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.14
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 667178) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID667178
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[nH]n2)c(O)c1
InChIInChI=1S/C22H21N5O3/c1-13-9-10-16(19(28)11-13)17-12-18(25-24-17)21(29)23-20-14(2)26(3)27(22(20)30)15-7-5-4-6-8-15/h4-12,28H,1-3H3,(H,23,29)(H,24,25)
InChIKeyLBFWDYHWPUWYFS-UHFFFAOYSA-N
XLogP3.14
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 667178) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[nH]n2)c(O)c1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is LBFWDYHWPUWYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-13-9-10-16(19(28)11-13)17-12-18(25-24-17)21(29)23-20-14(2)26(3)27(22(20)30)15-7-5-4-6-8-15/h4-12,28H,1-3H3,(H,23,29)(H,24,25).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 667178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).