4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide

C19H19N5O2 — CID 56803343

IUPAC4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide
SMILESCc1cn(-c2ccccc2)nc1NC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C19H19N5O2/c1-13-12-24(16-5-3-2-4-6-16)23-17(13)22-18(25)15-9-7-14(8-10-15)11-21-19(20)26/h2-10,12H,11H2,1H3,(H3,20,21,26)(H,22,23,25)
InChIKeyIQRYRARPTACOEC-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.60
Rot. Bonds5

About 4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide

4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide (PubChem CID 56803343) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide
PubChem CID56803343
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide
SMILESCc1cn(-c2ccccc2)nc1NC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C19H19N5O2/c1-13-12-24(16-5-3-2-4-6-16)23-17(13)22-18(25)15-9-7-14(8-10-15)11-21-19(20)26/h2-10,12H,11H2,1H3,(H3,20,21,26)(H,22,23,25)
InChIKeyIQRYRARPTACOEC-UHFFFAOYSA-N
XLogP2.60
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide
CID 16738872
[4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid
CID 71134013
N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 16739102
[4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid
CID 71133855
[3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid
CID 69052738
N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide
CID 25012332
2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide
CID 111464580
4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide
CID 29205734
3-[(4-cyanophenoxy)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide
CID 86954205
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 60516734
2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide
CID 86835479

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide (CID 56803343) is 4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide is Cc1cn(-c2ccccc2)nc1NC(=O)c1ccc(CNC(N)=O)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide?
The InChIKey is IQRYRARPTACOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-12-24(16-5-3-2-4-6-16)23-17(13)22-18(25)15-9-7-14(8-10-15)11-21-19(20)26/h2-10,12H,11H2,1H3,(H3,20,21,26)(H,22,23,25).
What are the key properties of 4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide?
4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide has a molecular weight of 349.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 56803343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).