1,5-dimethyl-N-(4-phenoxyphenyl)pyrazole-4-carboxamide

C18H17N3O2 — CID 16614321

IUPAC1,5-dimethyl-N-(4-phenoxyphenyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cnn1C
InChIInChI=1S/C18H17N3O2/c1-13-17(12-19-21(13)2)18(22)20-14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,22)
InChIKeyFCRCZGRMJDGCBJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.77
Rot. Bonds4

About 1,5-dimethyl-N-(4-phenoxyphenyl)pyrazole-4-carboxamide

1,5-dimethyl-N-(4-phenoxyphenyl)pyrazole-4-carboxamide (PubChem CID 16614321) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1,5-dimethyl-N-(4-phenoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(4-phenoxyphenyl)pyrazole-4-carboxamide
PubChem CID16614321
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1,5-dimethyl-N-(4-phenoxyphenyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cnn1C
InChIInChI=1S/C18H17N3O2/c1-13-17(12-19-21(13)2)18(22)20-14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,22)
InChIKeyFCRCZGRMJDGCBJ-UHFFFAOYSA-N
XLogP3.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(4-phenoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(4-phenoxyphenyl)pyrazole-4-carboxamide (CID 16614321) is 1,5-dimethyl-N-(4-phenoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(4-phenoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(4-phenoxyphenyl)pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-(4-phenoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is FCRCZGRMJDGCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-17(12-19-21(13)2)18(22)20-14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,22).
What are the key properties of 1,5-dimethyl-N-(4-phenoxyphenyl)pyrazole-4-carboxamide?
1,5-dimethyl-N-(4-phenoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(4-phenoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 16614321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).