N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide

C22H23N3O2 — CID 90622137

IUPACN-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
SMILESO=C(Nc1cnn(CC2CCOCC2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H23N3O2/c26-22(20-8-6-19(7-9-20)18-4-2-1-3-5-18)24-21-14-23-25(16-21)15-17-10-12-27-13-11-17/h1-9,14,16-17H,10-13,15H2,(H,24,26)
InChIKeyCCQPPHUMGWGRCD-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.23
Rot. Bonds5

About N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide

N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide (PubChem CID 90622137) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
PubChem CID90622137
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC NameN-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
SMILESO=C(Nc1cnn(CC2CCOCC2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H23N3O2/c26-22(20-8-6-19(7-9-20)18-4-2-1-3-5-18)24-21-14-23-25(16-21)15-17-10-12-27-13-11-17/h1-9,14,16-17H,10-13,15H2,(H,24,26)
InChIKeyCCQPPHUMGWGRCD-UHFFFAOYSA-N
XLogP4.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622120
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047
4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
CID 95749420
N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 95749448
4-chloro-3-nitro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622132
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
CID 90622320
4-(1,3-dioxoisoindol-2-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 90622248
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-3-prop-2-enylurea
CID 90622375
3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 90622240
4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 146136886
2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 90622077
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95749180

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide?
The IUPAC name of N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide (CID 90622137) is N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide?
The canonical SMILES for N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide is O=C(Nc1cnn(CC2CCOCC2)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide?
The InChIKey is CCQPPHUMGWGRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(20-8-6-19(7-9-20)18-4-2-1-3-5-18)24-21-14-23-25(16-21)15-17-10-12-27-13-11-17/h1-9,14,16-17H,10-13,15H2,(H,24,26).
What are the key properties of N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide?
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide has a molecular weight of 361.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide is sourced from PubChem (CID 90622137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).