4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide

C22H22N4O3 — CID 1372063

IUPAC4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
SMILESCc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C22H22N4O3/c1-16-7-9-17(10-8-16)21(27)24-20-19(22(28)25-11-13-29-14-12-25)15-23-26(20)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,24,27)
InChIKeyZYZIPIXAVILZQH-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.91
Rot. Bonds4

About 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide

4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide (PubChem CID 1372063) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
PubChem CID1372063
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
SMILESCc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C22H22N4O3/c1-16-7-9-17(10-8-16)21(27)24-20-19(22(28)25-11-13-29-14-12-25)15-23-26(20)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,24,27)
InChIKeyZYZIPIXAVILZQH-UHFFFAOYSA-N
XLogP2.91
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-((1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo(3,4-b)pyridin-4-yl)amino)-4-methylbenzamide
CID 42647297
SR-318
CID 139030333
5-Amino-1-(4-fluorophenyl)-4-[3-(3-morpholin-4-ylprop-1-ynyl)benzoyl]pyrazole
CID 9953051
N-cyclopropyl-3-(1-(2,5-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)-4-methylbenzamide
CID 25271186
18-[3-(Piperazine-1-carbonyl)anilino]-2,8,16,17,19,20-hexazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3(22),4,6,14(21),15,18-heptaen-9-one
CID 135907028
5-amino-N-((4-(((2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl)carbamoyl)phenyl)methyl)-1-phenylpyrazole-4-carboxamide
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5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
CID 145994397
5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
CID 145994398
5-azanyl-~{N}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
CID 145994862
5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
CID 146019271
5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
CID 146675161
5-Amino-1-(4-fluorophenyl)-4-[3-(3-morpholin-4-ylpropyl)benzoyl]pyrazole
CID 11640131

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The IUPAC name of 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide (CID 1372063) is 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide is Cc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)cnn2-c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The InChIKey is ZYZIPIXAVILZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-16-7-9-17(10-8-16)21(27)24-20-19(22(28)25-11-13-29-14-12-25)15-23-26(20)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,24,27).
What are the key properties of 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide has a molecular weight of 390.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 1372063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).