N-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide

C22H20ClN5O2 — CID 19337615

IUPACN-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2ccn(COc3ccccc3Cl)n2)nn1Cc1ccccc1
InChIInChI=1S/C22H20ClN5O2/c1-16-13-21(26-28(16)14-17-7-3-2-4-8-17)24-22(29)19-11-12-27(25-19)15-30-20-10-6-5-9-18(20)23/h2-13H,14-15H2,1H3,(H,24,26,29)
InChIKeyATVFIWPXZNECEJ-UHFFFAOYSA-N
MW421.89 g/mol
LogP4.38
Rot. Bonds7

About N-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide

N-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19337615) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is N-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19337615
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC NameN-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2ccn(COc3ccccc3Cl)n2)nn1Cc1ccccc1
InChIInChI=1S/C22H20ClN5O2/c1-16-13-21(26-28(16)14-17-7-3-2-4-8-17)24-22(29)19-11-12-27(25-19)15-30-20-10-6-5-9-18(20)23/h2-13H,14-15H2,1H3,(H,24,26,29)
InChIKeyATVFIWPXZNECEJ-UHFFFAOYSA-N
XLogP4.38
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19334987
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19335348
1-[(3-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide
CID 19284116
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19345634
1-[(2-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 19581793
1-[(4-tert-butylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide
CID 19284121
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19337365
1-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide
CID 19265220
1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19265181
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19411385
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19392903
1-[(2-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide
CID 17022012

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide (CID 19337615) is N-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide is Cc1cc(NC(=O)c2ccn(COc3ccccc3Cl)n2)nn1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is ATVFIWPXZNECEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-16-13-21(26-28(16)14-17-7-3-2-4-8-17)24-22(29)19-11-12-27(25-19)15-30-20-10-6-5-9-18(20)23/h2-13H,14-15H2,1H3,(H,24,26,29).
What are the key properties of N-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
N-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 421.89 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19337615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).