N-(2-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide

C19H19N5O3 — CID 135223441

IUPACN-(2-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C19H19N5O3/c1-27-17-5-3-2-4-16(17)24-18(25)14-6-8-15(9-7-14)23-19(26)20-10-13-11-21-22-12-13/h2-9,11-12H,10H2,1H3,(H,21,22)(H,24,25)(H2,20,23,26)
InChIKeyCUPKTODZLMMXNK-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.99
Rot. Bonds6

About N-(2-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide

N-(2-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide (PubChem CID 135223441) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide
PubChem CID135223441
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-(2-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C19H19N5O3/c1-27-17-5-3-2-4-16(17)24-18(25)14-6-8-15(9-7-14)23-19(26)20-10-13-11-21-22-12-13/h2-9,11-12H,10H2,1H3,(H,21,22)(H,24,25)(H2,20,23,26)
InChIKeyCUPKTODZLMMXNK-UHFFFAOYSA-N
XLogP2.99
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide (CID 135223441) is N-(2-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)NCc2cn[nH]c2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide?
The InChIKey is CUPKTODZLMMXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-27-17-5-3-2-4-16(17)24-18(25)14-6-8-15(9-7-14)23-19(26)20-10-13-11-21-22-12-13/h2-9,11-12H,10H2,1H3,(H,21,22)(H,24,25)(H2,20,23,26).
What are the key properties of N-(2-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide?
N-(2-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide has a molecular weight of 365.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide is sourced from PubChem (CID 135223441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).