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

C19H19N5O3 — CID 135223318

IUPACN-(4-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)NCc3cn[nH]c3)cc2)cc1
InChIInChI=1S/C19H19N5O3/c1-27-17-8-6-15(7-9-17)23-18(25)14-2-4-16(5-3-14)24-19(26)20-10-13-11-21-22-12-13/h2-9,11-12H,10H2,1H3,(H,21,22)(H,23,25)(H2,20,24,26)
InChIKeyDXWOWJUDLJUZNC-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.99
Rot. Bonds6

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

N-(4-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide (PubChem CID 135223318) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide
PubChem CID135223318
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-(4-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)NCc3cn[nH]c3)cc2)cc1
InChIInChI=1S/C19H19N5O3/c1-27-17-8-6-15(7-9-17)23-18(25)14-2-4-16(5-3-14)24-19(26)20-10-13-11-21-22-12-13/h2-9,11-12H,10H2,1H3,(H,21,22)(H,23,25)(H2,20,24,26)
InChIKeyDXWOWJUDLJUZNC-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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Related Compounds

1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea
CID 61347792
4-methoxy-N-(1H-pyrazol-4-yl)benzamide
CID 43429414
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135231082
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-4-methoxybenzamide
CID 108923056
4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide
CID 170977170
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide (CID 135223318) is N-(4-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)NCc3cn[nH]c3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide?
The InChIKey is DXWOWJUDLJUZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-27-17-8-6-15(7-9-17)23-18(25)14-2-4-16(5-3-14)24-19(26)20-10-13-11-21-22-12-13/h2-9,11-12H,10H2,1H3,(H,21,22)(H,23,25)(H2,20,24,26).
What are the key properties of N-(4-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide?
N-(4-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-(4-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide is sourced from PubChem (CID 135223318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).