N-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide

C20H17N5O — CID 47925828

IUPACN-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)n[nH]1
InChIInChI=1S/C20H17N5O/c1-14-12-19(24-23-14)22-20(26)16-8-5-9-17(13-16)25-18(10-11-21-25)15-6-3-2-4-7-15/h2-13H,1H3,(H2,22,23,24,26)
InChIKeyKPALMYOYLYOVIQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.82
Rot. Bonds4

About N-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide

N-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide (PubChem CID 47925828) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide
PubChem CID47925828
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)n[nH]1
InChIInChI=1S/C20H17N5O/c1-14-12-19(24-23-14)22-20(26)16-8-5-9-17(13-16)25-18(10-11-21-25)15-6-3-2-4-7-15/h2-13H,1H3,(H2,22,23,24,26)
InChIKeyKPALMYOYLYOVIQ-UHFFFAOYSA-N
XLogP3.82
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-phenylpyrazol-1-yl)benzoic acid
CID 16773226
3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 47076780
N-(2-hydroxypropyl)-3-(5-phenylpyrazol-1-yl)benzamide
CID 110906604
3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid
CID 118577261
4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
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N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide
CID 97089380
3-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid
CID 16776531
methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate
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N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide
CID 95591250
N-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide
CID 71864177
N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide
CID 778152
N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide
CID 47255659

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide (CID 47925828) is N-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide is Cc1cc(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide?
The InChIKey is KPALMYOYLYOVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-14-12-19(24-23-14)22-20(26)16-8-5-9-17(13-16)25-18(10-11-21-25)15-6-3-2-4-7-15/h2-13H,1H3,(H2,22,23,24,26).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide?
N-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide has a molecular weight of 343.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide is sourced from PubChem (CID 47925828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).