N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-4-methylbenzamide

C16H18N6O — CID 22434280

IUPACN-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-4-methylbenzamide
SMILESCCn1nc(-n2cnnc2)c(NC(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C16H18N6O/c1-4-22-12(3)14(15(20-22)21-9-17-18-10-21)19-16(23)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3,(H,19,23)
InChIKeyLNNHYEVQEAUNID-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.35
Rot. Bonds4

About N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-4-methylbenzamide

N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-4-methylbenzamide (PubChem CID 22434280) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-4-methylbenzamide
PubChem CID22434280
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-4-methylbenzamide
SMILESCCn1nc(-n2cnnc2)c(NC(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C16H18N6O/c1-4-22-12(3)14(15(20-22)21-9-17-18-10-21)19-16(23)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3,(H,19,23)
InChIKeyLNNHYEVQEAUNID-UHFFFAOYSA-N
XLogP2.35
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-ethyl-5-(hydrazinecarbonyl)-3-methylpyrazol-4-yl]-4-methylbenzamide
CID 10542321
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethylbenzamide
CID 19338051
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
CID 19337872
N-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 46249593
N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide
CID 22434324
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-nitrobenzamide
CID 17088718
N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide
CID 50880804
3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 22434268
N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 22434419
N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide
CID 50881407
4-[(4-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide
CID 75537903
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
CID 4246879

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-4-methylbenzamide (CID 22434280) is N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-4-methylbenzamide is CCn1nc(-n2cnnc2)c(NC(=O)c2ccc(C)cc2)c1C.
What is the InChIKey of N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is LNNHYEVQEAUNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-4-22-12(3)14(15(20-22)21-9-17-18-10-21)19-16(23)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3,(H,19,23).
What are the key properties of N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-4-methylbenzamide?
N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 310.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 22434280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).