3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide

C26H24ClN5O5 — CID 70702009

IUPAC3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccc(Cl)cc4)cn3)c2)cc(OC)c1OC
InChIInChI=1S/C26H24ClN5O5/c1-35-22-12-19(13-23(36-2)24(22)37-3)29-25(33)16-5-4-6-21(11-16)32-15-20(14-28-32)31-26(34)30-18-9-7-17(27)8-10-18/h4-15H,1-3H3,(H,29,33)(H2,30,31,34)
InChIKeyQRRNJRGTBDNDSQ-UHFFFAOYSA-N
MW521.96 g/mol
LogP5.45
Rot. Bonds8

About 3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide

3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 70702009) has the molecular formula C26H24ClN5O5 and a molecular weight of 521.96 g/mol. Its IUPAC name is 3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID70702009
Molecular FormulaC26H24ClN5O5
Molecular Weight521.96 g/mol
Exact Mass521.15
IUPAC Name3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccc(Cl)cc4)cn3)c2)cc(OC)c1OC
InChIInChI=1S/C26H24ClN5O5/c1-35-22-12-19(13-23(36-2)24(22)37-3)29-25(33)16-5-4-6-21(11-16)32-15-20(14-28-32)31-26(34)30-18-9-7-17(27)8-10-18/h4-15H,1-3H3,(H,29,33)(H2,30,31,34)
InChIKeyQRRNJRGTBDNDSQ-UHFFFAOYSA-N
XLogP5.45
TPSA115.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.96
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-[(5-chloro-1,3-benzodioxol-4-yl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 117076255
3-[4-(benzenesulfonamido)pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 117075073
3-[4-[(2-bromophenyl)carbamothioylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 117076288
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 118146873
N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide
CID 87057580
N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide
CID 35761483
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide
CID 118146923
(2-chlorophenyl) N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate
CID 118146800
methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate
CID 117076127
3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
CID 117076261

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide (CID 70702009) is 3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccc(Cl)cc4)cn3)c2)cc(OC)c1OC.
What is the InChIKey of 3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is QRRNJRGTBDNDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O5/c1-35-22-12-19(13-23(36-2)24(22)37-3)29-25(33)16-5-4-6-21(11-16)32-15-20(14-28-32)31-26(34)30-18-9-7-17(27)8-10-18/h4-15H,1-3H3,(H,29,33)(H2,30,31,34).
What are the key properties of 3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide?
3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 521.96 g/mol, XLogP of 5.45, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 70702009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).