1-(3-ethenyl-2-ethyl-4,5-dihydroimidazol-4-yl)pyrazole-4-carboxamide

C11H15N5O — CID 146638756

IUPAC1-(3-ethenyl-2-ethyl-4,5-dihydroimidazol-4-yl)pyrazole-4-carboxamide
SMILESC=CN1C(CC)=NCC1n1cc(C(N)=O)cn1
InChIInChI=1S/C11H15N5O/c1-3-9-13-6-10(15(9)4-2)16-7-8(5-14-16)11(12)17/h4-5,7,10H,2-3,6H2,1H3,(H2,12,17)
InChIKeyLSVPKPBJUPKWSQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.75
Rot. Bonds4

About 1-(3-ethenyl-2-ethyl-4,5-dihydroimidazol-4-yl)pyrazole-4-carboxamide

1-(3-ethenyl-2-ethyl-4,5-dihydroimidazol-4-yl)pyrazole-4-carboxamide (PubChem CID 146638756) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(3-ethenyl-2-ethyl-4,5-dihydroimidazol-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-ethenyl-2-ethyl-4,5-dihydroimidazol-4-yl)pyrazole-4-carboxamide
PubChem CID146638756
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-(3-ethenyl-2-ethyl-4,5-dihydroimidazol-4-yl)pyrazole-4-carboxamide
SMILESC=CN1C(CC)=NCC1n1cc(C(N)=O)cn1
InChIInChI=1S/C11H15N5O/c1-3-9-13-6-10(15(9)4-2)16-7-8(5-14-16)11(12)17/h4-5,7,10H,2-3,6H2,1H3,(H2,12,17)
InChIKeyLSVPKPBJUPKWSQ-UHFFFAOYSA-N
XLogP0.75
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide
CID 175742679
fluoromethane;1-methylpyrazole-4-carboxamide
CID 158051819
1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900915
1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900922
1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901018
1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide
CID 95804927
1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126901123
1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901141
(Z)-3-methylidene-1-(1-piperidin-4-ylpyrazol-4-yl)hex-1-en-1-amine
CID 177344077
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-4-carboxamide
CID 59330607
1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901064
N-(2-bromoethyl)-1-methyl-N-propylpyrazole-4-carboxamide
CID 80661307

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenyl-2-ethyl-4,5-dihydroimidazol-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-ethenyl-2-ethyl-4,5-dihydroimidazol-4-yl)pyrazole-4-carboxamide (CID 146638756) is 1-(3-ethenyl-2-ethyl-4,5-dihydroimidazol-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-ethenyl-2-ethyl-4,5-dihydroimidazol-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-ethenyl-2-ethyl-4,5-dihydroimidazol-4-yl)pyrazole-4-carboxamide is C=CN1C(CC)=NCC1n1cc(C(N)=O)cn1.
What is the InChIKey of 1-(3-ethenyl-2-ethyl-4,5-dihydroimidazol-4-yl)pyrazole-4-carboxamide?
The InChIKey is LSVPKPBJUPKWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-9-13-6-10(15(9)4-2)16-7-8(5-14-16)11(12)17/h4-5,7,10H,2-3,6H2,1H3,(H2,12,17).
What are the key properties of 1-(3-ethenyl-2-ethyl-4,5-dihydroimidazol-4-yl)pyrazole-4-carboxamide?
1-(3-ethenyl-2-ethyl-4,5-dihydroimidazol-4-yl)pyrazole-4-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenyl-2-ethyl-4,5-dihydroimidazol-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 146638756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).