N-[(6-butyl-3-pyridinyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide

C17H23ClN4O — CID 14771162

IUPACN-[(6-butyl-3-pyridinyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCCCc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cn1
InChIInChI=1S/C17H23ClN4O/c1-4-6-7-13-9-8-12(10-19-13)11-20-17(23)16-15(18)14(5-2)21-22(16)3/h8-10H,4-7,11H2,1-3H3,(H,20,23)
InChIKeyFRLJNJCFXAPGIZ-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.30
Rot. Bonds7

About N-[(6-butyl-3-pyridinyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide

N-[(6-butyl-3-pyridinyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 14771162) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[(6-butyl-3-pyridinyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(6-butyl-3-pyridinyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID14771162
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC NameN-[(6-butyl-3-pyridinyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCCCc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cn1
InChIInChI=1S/C17H23ClN4O/c1-4-6-7-13-9-8-12(10-19-13)11-20-17(23)16-15(18)14(5-2)21-22(16)3/h8-10H,4-7,11H2,1-3H3,(H,20,23)
InChIKeyFRLJNJCFXAPGIZ-UHFFFAOYSA-N
XLogP3.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tebufenpyrad
CID 86354
N-(2-chloro-3-pyridinyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1225828
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methylpyridin-3-yl)-1H-pyrazole-3-carboxamide
CID 24798011
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide
CID 135523935
(3-Chloropyrazolo[1,5-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 57394859
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide
CID 164624692
4-chloro-1,3-dimethyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 5410826
1-methyl-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6884360
4-chloro-1-methyl-N'-[1-(3-pyridinyl)ethylidene]-1H-pyrazole-5-carbohydrazide
CID 9618019
N-[2-(4-chlorophenyl)ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16194125
4-chloro-1-ethyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 2941510

Frequently Asked Questions

What is the IUPAC name of N-[(6-butyl-3-pyridinyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[(6-butyl-3-pyridinyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide (CID 14771162) is N-[(6-butyl-3-pyridinyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(6-butyl-3-pyridinyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[(6-butyl-3-pyridinyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide is CCCCc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cn1.
What is the InChIKey of N-[(6-butyl-3-pyridinyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is FRLJNJCFXAPGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-4-6-7-13-9-8-12(10-19-13)11-20-17(23)16-15(18)14(5-2)21-22(16)3/h8-10H,4-7,11H2,1-3H3,(H,20,23).
What are the key properties of N-[(6-butyl-3-pyridinyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide?
N-[(6-butyl-3-pyridinyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 334.85 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-butyl-3-pyridinyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 14771162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).