N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpyrazole-3-carboxamide

C15H15ClN6O — CID 146124708

IUPACN-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C15H15ClN6O/c1-22-12(6-9-18-22)15(23)17-8-7-13-19-14(21-20-13)10-2-4-11(16)5-3-10/h2-6,9H,7-8H2,1H3,(H,17,23)(H,19,20,21)
InChIKeyTXLVBOWDEIRFMD-UHFFFAOYSA-N
MW330.78 g/mol
LogP1.83
Rot. Bonds5

About N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpyrazole-3-carboxamide

N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 146124708) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpyrazole-3-carboxamide
PubChem CID146124708
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC NameN-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C15H15ClN6O/c1-22-12(6-9-18-22)15(23)17-8-7-13-19-14(21-20-13)10-2-4-11(16)5-3-10/h2-6,9H,7-8H2,1H3,(H,17,23)(H,19,20,21)
InChIKeyTXLVBOWDEIRFMD-UHFFFAOYSA-N
XLogP1.83
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 126815135
1-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-3-ethylurea
CID 127266866
4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 53008569
N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide
CID 154740580
2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
CID 112528913
3-(4-chlorophenyl)-5-propyl-1H-1,2,4-triazole
CID 61338485
3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide
CID 53090148
N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
CID 17167946
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 154873013
1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 146126673
N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide
CID 50801460

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpyrazole-3-carboxamide (CID 146124708) is N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is TXLVBOWDEIRFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O/c1-22-12(6-9-18-22)15(23)17-8-7-13-19-14(21-20-13)10-2-4-11(16)5-3-10/h2-6,9H,7-8H2,1H3,(H,17,23)(H,19,20,21).
What are the key properties of N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpyrazole-3-carboxamide?
N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 330.78 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 146124708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).