(2-chlorophenyl) N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate

C23H18ClN5O3 — CID 118146800

IUPAC(2-chlorophenyl) N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate
SMILESCc1ccc(NC(=O)c2cccc(-n3cc(NC(=O)Oc4ccccc4Cl)cn3)c2)cn1
InChIInChI=1S/C23H18ClN5O3/c1-15-9-10-17(12-25-15)27-22(30)16-5-4-6-19(11-16)29-14-18(13-26-29)28-23(31)32-21-8-3-2-7-20(21)24/h2-14H,1H3,(H,27,30)(H,28,31)
InChIKeyANTVVAXNZPFINR-UHFFFAOYSA-N
MW447.88 g/mol
LogP5.09
Rot. Bonds5

About (2-chlorophenyl) N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate

(2-chlorophenyl) N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate (PubChem CID 118146800) has the molecular formula C23H18ClN5O3 and a molecular weight of 447.88 g/mol. Its IUPAC name is (2-chlorophenyl) N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate.

Molecular Properties

Compound Name(2-chlorophenyl) N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate
PubChem CID118146800
Molecular FormulaC23H18ClN5O3
Molecular Weight447.88 g/mol
Exact Mass447.11
IUPAC Name(2-chlorophenyl) N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate
SMILESCc1ccc(NC(=O)c2cccc(-n3cc(NC(=O)Oc4ccccc4Cl)cn3)c2)cn1
InChIInChI=1S/C23H18ClN5O3/c1-15-9-10-17(12-25-15)27-22(30)16-5-4-6-19(11-16)29-14-18(13-26-29)28-23(31)32-21-8-3-2-7-20(21)24/h2-14H,1H3,(H,27,30)(H,28,31)
InChIKeyANTVVAXNZPFINR-UHFFFAOYSA-N
XLogP5.09
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.88
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
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
3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 70702009
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide
CID 118146923
N-[4-(2-chlorophenoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 30291841
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400071
N-(6-bromo-3-pyridinyl)-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 99635482
6-methyl-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
CID 110472220
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
3-[4-(benzenesulfonamido)pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 117075073
3-[4-(2-chlorohepta-2,4-dien-3-ylcarbamoylamino)pyrazol-1-yl]-N-(2,6-dimethyl-3-pyridinyl)benzamide
CID 123527830

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate?
The IUPAC name of (2-chlorophenyl) N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate (CID 118146800) is (2-chlorophenyl) N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate.
What is the SMILES notation for (2-chlorophenyl) N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate?
The canonical SMILES for (2-chlorophenyl) N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate is Cc1ccc(NC(=O)c2cccc(-n3cc(NC(=O)Oc4ccccc4Cl)cn3)c2)cn1.
What is the InChIKey of (2-chlorophenyl) N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate?
The InChIKey is ANTVVAXNZPFINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O3/c1-15-9-10-17(12-25-15)27-22(30)16-5-4-6-19(11-16)29-14-18(13-26-29)28-23(31)32-21-8-3-2-7-20(21)24/h2-14H,1H3,(H,27,30)(H,28,31).
What are the key properties of (2-chlorophenyl) N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate?
(2-chlorophenyl) N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate has a molecular weight of 447.88 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate is sourced from PubChem (CID 118146800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).