3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide

C18H17N5O2 — CID 117076261

IUPAC3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
SMILESCc1cccc(NC(=O)Nc2cnn(-c3cccc(C(N)=O)c3)c2)c1
InChIInChI=1S/C18H17N5O2/c1-12-4-2-6-14(8-12)21-18(25)22-15-10-20-23(11-15)16-7-3-5-13(9-16)17(19)24/h2-11H,1H3,(H2,19,24)(H2,21,22,25)
InChIKeyCBXBOCYNUJFRGI-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.92
Rot. Bonds4

About 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide

3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide (PubChem CID 117076261) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide.

Molecular Properties

Compound Name3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
PubChem CID117076261
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
SMILESCc1cccc(NC(=O)Nc2cnn(-c3cccc(C(N)=O)c3)c2)c1
InChIInChI=1S/C18H17N5O2/c1-12-4-2-6-14(8-12)21-18(25)22-15-10-20-23(11-15)16-7-3-5-13(9-16)17(19)24/h2-11H,1H3,(H2,19,24)(H2,21,22,25)
InChIKeyCBXBOCYNUJFRGI-UHFFFAOYSA-N
XLogP2.92
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate
CID 117076127
N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
CID 117076294
N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide
CID 87057580
3-[[4-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzoyl]amino]benzamide;2,2,2-trifluoroacetic acid
CID 117074432
N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 117075038
N-benzyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 42344718
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 75895788
2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide
CID 117079181
N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 117074983
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide
CID 146293961
N-(3-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]oxamide
CID 75453197

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide?
The IUPAC name of 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide (CID 117076261) is 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide.
What is the SMILES notation for 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide?
The canonical SMILES for 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide is Cc1cccc(NC(=O)Nc2cnn(-c3cccc(C(N)=O)c3)c2)c1.
What is the InChIKey of 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide?
The InChIKey is CBXBOCYNUJFRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12-4-2-6-14(8-12)21-18(25)22-15-10-20-23(11-15)16-7-3-5-13(9-16)17(19)24/h2-11H,1H3,(H2,19,24)(H2,21,22,25).
What are the key properties of 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide?
3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide has a molecular weight of 335.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide is sourced from PubChem (CID 117076261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).