3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide

C24H27ClN6O3 — CID 70702014

IUPAC3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(Nc1cnn(-c2cccc(C(=O)NCCCN3CCOCC3)c2)c1)Nc1ccccc1Cl
InChIInChI=1S/C24H27ClN6O3/c25-21-7-1-2-8-22(21)29-24(33)28-19-16-27-31(17-19)20-6-3-5-18(15-20)23(32)26-9-4-10-30-11-13-34-14-12-30/h1-3,5-8,15-17H,4,9-14H2,(H,26,32)(H2,28,29,33)
InChIKeyMTMPXCITEXTRGD-UHFFFAOYSA-N
MW482.97 g/mol
LogP3.62
Rot. Bonds8

About 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide

3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 70702014) has the molecular formula C24H27ClN6O3 and a molecular weight of 482.97 g/mol. Its IUPAC name is 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID70702014
Molecular FormulaC24H27ClN6O3
Molecular Weight482.97 g/mol
Exact Mass482.18
IUPAC Name3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(Nc1cnn(-c2cccc(C(=O)NCCCN3CCOCC3)c2)c1)Nc1ccccc1Cl
InChIInChI=1S/C24H27ClN6O3/c25-21-7-1-2-8-22(21)29-24(33)28-19-16-27-31(17-19)20-6-3-5-18(15-20)23(32)26-9-4-10-30-11-13-34-14-12-30/h1-3,5-8,15-17H,4,9-14H2,(H,26,32)(H2,28,29,33)
InChIKeyMTMPXCITEXTRGD-UHFFFAOYSA-N
XLogP3.62
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)benzamide
CID 118146845
3-[5-(2-chloroanilino)indazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71602771
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 118146873
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]benzamide
CID 122632845
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
4-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)thiophene-2-carboxamide
CID 162648614
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 144857820
4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 35993710
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 70702014) is 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide is O=C(Nc1cnn(-c2cccc(C(=O)NCCCN3CCOCC3)c2)c1)Nc1ccccc1Cl.
What is the InChIKey of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is MTMPXCITEXTRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O3/c25-21-7-1-2-8-22(21)29-24(33)28-19-16-27-31(17-19)20-6-3-5-18(15-20)23(32)26-9-4-10-30-11-13-34-14-12-30/h1-3,5-8,15-17H,4,9-14H2,(H,26,32)(H2,28,29,33).
What are the key properties of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 482.97 g/mol, XLogP of 3.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 70702014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).