N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide

C12H17N5O — CID 131925005

IUPACN-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide
SMILESCCN(CCn1cccn1)C(=O)c1cncn1C
InChIInChI=1S/C12H17N5O/c1-3-16(7-8-17-6-4-5-14-17)12(18)11-9-13-10-15(11)2/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyLWURVGZNNNPXRV-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.78
Rot. Bonds5

About N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide

N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide (PubChem CID 131925005) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide
PubChem CID131925005
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide
SMILESCCN(CCn1cccn1)C(=O)c1cncn1C
InChIInChI=1S/C12H17N5O/c1-3-16(7-8-17-6-4-5-14-17)12(18)11-9-13-10-15(11)2/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyLWURVGZNNNPXRV-UHFFFAOYSA-N
XLogP0.78
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Imidazo[1,2-a]pyrimidin-2-yl-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53569583
2-Imidazol-1-yl-1-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 53587938
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 53602016
(1-Methylpyrazol-4-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53614117
N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propyl-1H-1,2,3-triazole-5-carboxamide
CID 56910576
2-Imidazol-1-yl-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 72044309
N,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide
CID 97467494
N-[(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 97467591
1-(9-Ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl)-2-pyrazol-1-ylethanone
CID 132335079
(4-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)(pyrazin-2-yl)methanone
CID 49675954
1-[4-(2,5-dimethyl-1H-imidazol-1-yl)piperidino]-3-(1H-pyrazol-1-yl)-1-propanone
CID 124047374
1-[9-ethyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]-3-(1H-pyrazol-1-yl)-1-propanone
CID 124049457

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide?
The IUPAC name of N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide (CID 131925005) is N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide is CCN(CCn1cccn1)C(=O)c1cncn1C.
What is the InChIKey of N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide?
The InChIKey is LWURVGZNNNPXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-16(7-8-17-6-4-5-14-17)12(18)11-9-13-10-15(11)2/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide?
N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide is sourced from PubChem (CID 131925005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).