4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide

C17H15N5O2 — CID 43073751

IUPAC4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
SMILESNC(=O)Nc1ccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1
InChIInChI=1S/C17H15N5O2/c18-17(24)21-13-6-4-11(5-7-13)16(23)20-14-3-1-2-12(10-14)15-8-9-19-22-15/h1-10H,(H,19,22)(H,20,23)(H3,18,21,24)
InChIKeyAVSYLRCVFULUTA-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.82
Rot. Bonds4

About 4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide

4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide (PubChem CID 43073751) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
PubChem CID43073751
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
SMILESNC(=O)Nc1ccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1
InChIInChI=1S/C17H15N5O2/c18-17(24)21-13-6-4-11(5-7-13)16(23)20-14-3-1-2-12(10-14)15-8-9-19-22-15/h1-10H,(H,19,22)(H,20,23)(H3,18,21,24)
InChIKeyAVSYLRCVFULUTA-UHFFFAOYSA-N
XLogP2.82
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
CID 37044281
N-[3-[[4-(prop-2-enoylamino)benzoyl]amino]phenyl]-3-(1H-pyrazol-5-yl)benzamide
CID 139478873
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide
CID 106753513
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
N-[3-(1H-pyrazol-5-yl)phenyl]furan-2-carboxamide
CID 37044226
3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 107518369
N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19614759
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972
4-(carbamoylamino)-N-pyridin-3-ylbenzamide
CID 13387851
4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 66335716
3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
CID 38779477
1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 115452566

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide (CID 43073751) is 4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide is NC(=O)Nc1ccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
The InChIKey is AVSYLRCVFULUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c18-17(24)21-13-6-4-11(5-7-13)16(23)20-14-3-1-2-12(10-14)15-8-9-19-22-15/h1-10H,(H,19,22)(H,20,23)(H3,18,21,24).
What are the key properties of 4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide has a molecular weight of 321.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 43073751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).