3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)benzamide

C23H24ClN5O3 — CID 118146845

IUPAC3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)benzamide
SMILESO=C(Nc1cnn(-c2cccc(C(=O)NCC3CCOCC3)c2)c1)Nc1ccccc1Cl
InChIInChI=1S/C23H24ClN5O3/c24-20-6-1-2-7-21(20)28-23(31)27-18-14-26-29(15-18)19-5-3-4-17(12-19)22(30)25-13-16-8-10-32-11-9-16/h1-7,12,14-16H,8-11,13H2,(H,25,30)(H2,27,28,31)
InChIKeyUIDLQWFFPYXFSR-UHFFFAOYSA-N
MW453.93 g/mol
LogP4.33
Rot. Bonds6

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

3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)benzamide (PubChem CID 118146845) has the molecular formula C23H24ClN5O3 and a molecular weight of 453.93 g/mol. Its IUPAC name is 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)benzamide
PubChem CID118146845
Molecular FormulaC23H24ClN5O3
Molecular Weight453.93 g/mol
Exact Mass453.16
IUPAC Name3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)benzamide
SMILESO=C(Nc1cnn(-c2cccc(C(=O)NCC3CCOCC3)c2)c1)Nc1ccccc1Cl
InChIInChI=1S/C23H24ClN5O3/c24-20-6-1-2-7-21(20)28-23(31)27-18-14-26-29(15-18)19-5-3-4-17(12-19)22(30)25-13-16-8-10-32-11-9-16/h1-7,12,14-16H,8-11,13H2,(H,25,30)(H2,27,28,31)
InChIKeyUIDLQWFFPYXFSR-UHFFFAOYSA-N
XLogP4.33
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-morpholin-4-ylpropyl)benzamide
CID 70702014
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide
CID 118146923
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 118146873
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
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]benzamide
CID 122632845
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
N-(oxan-4-ylmethyl)-3-phenylbenzamide
CID 110736393
1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
CID 90622357
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 70702009
1-naphthalen-1-yl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597839

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)benzamide (CID 118146845) is 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)benzamide is O=C(Nc1cnn(-c2cccc(C(=O)NCC3CCOCC3)c2)c1)Nc1ccccc1Cl.
What is the InChIKey of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is UIDLQWFFPYXFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3/c24-20-6-1-2-7-21(20)28-23(31)27-18-14-26-29(15-18)19-5-3-4-17(12-19)22(30)25-13-16-8-10-32-11-9-16/h1-7,12,14-16H,8-11,13H2,(H,25,30)(H2,27,28,31).
What are the key properties of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)benzamide?
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 453.93 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 118146845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).