N-(4-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide

C18H16ClN5O2 — CID 135222649

IUPACN-(4-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide
SMILESO=C(NCc1cn[nH]c1)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClN5O2/c19-14-3-7-15(8-4-14)23-17(25)13-1-5-16(6-2-13)24-18(26)20-9-12-10-21-22-11-12/h1-8,10-11H,9H2,(H,21,22)(H,23,25)(H2,20,24,26)
InChIKeyYQMBNTIXUQLAKI-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.64
Rot. Bonds5

About N-(4-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide

N-(4-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide (PubChem CID 135222649) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide
PubChem CID135222649
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC NameN-(4-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide
SMILESO=C(NCc1cn[nH]c1)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClN5O2/c19-14-3-7-15(8-4-14)23-17(25)13-1-5-16(6-2-13)24-18(26)20-9-12-10-21-22-11-12/h1-8,10-11H,9H2,(H,21,22)(H,23,25)(H2,20,24,26)
InChIKeyYQMBNTIXUQLAKI-UHFFFAOYSA-N
XLogP3.64
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-isopropyl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide
CID 68520214
1-[(3-chlorophenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68565840
N-(4-chlorophenyl)-1-[3-(1H-pyrazol-5-yl)benzoyl]piperidine-3-carboxamide
CID 121317991
2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 16325623
N-(4-chlorophenyl)-5,5-difluoro-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide
CID 121317975
N-(4-chlorophenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide
CID 121318061
US11479533, Example 16
CID 137425509
US11479533, Example 17
CID 137425510
US11479533, Example 22
CID 137425589
US11479533, Example 65
CID 137425611
US11479533, Example 20
CID 137425618
US11479533, Example 67
CID 137425628

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide (CID 135222649) is N-(4-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide is O=C(NCc1cn[nH]c1)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide?
The InChIKey is YQMBNTIXUQLAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c19-14-3-7-15(8-4-14)23-17(25)13-1-5-16(6-2-13)24-18(26)20-9-12-10-21-22-11-12/h1-8,10-11H,9H2,(H,21,22)(H,23,25)(H2,20,24,26).
What are the key properties of N-(4-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide?
N-(4-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide has a molecular weight of 369.81 g/mol, XLogP of 3.64, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide is sourced from PubChem (CID 135222649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).