N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide

C18H24N8O — CID 91844210

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide
SMILESCCn1nc(C)c(NC(=O)CN(C)Cc2cccc(-c3nn[nH]n3)c2)c1C
InChIInChI=1S/C18H24N8O/c1-5-26-13(3)17(12(2)22-26)19-16(27)11-25(4)10-14-7-6-8-15(9-14)18-20-23-24-21-18/h6-9H,5,10-11H2,1-4H3,(H,19,27)(H,20,21,23,24)
InChIKeyLXMMJRVHWBOYJE-UHFFFAOYSA-N
MW368.45 g/mol
LogP1.77
Rot. Bonds7

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide (PubChem CID 91844210) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide
PubChem CID91844210
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide
SMILESCCn1nc(C)c(NC(=O)CN(C)Cc2cccc(-c3nn[nH]n3)c2)c1C
InChIInChI=1S/C18H24N8O/c1-5-26-13(3)17(12(2)22-26)19-16(27)11-25(4)10-14-7-6-8-15(9-14)18-20-23-24-21-18/h6-9H,5,10-11H2,1-4H3,(H,19,27)(H,20,21,23,24)
InChIKeyLXMMJRVHWBOYJE-UHFFFAOYSA-N
XLogP1.77
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 124758787
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CID 91843220
2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
CID 91835238
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CID 99939871
2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 91785545
2-[methyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-N-(2,4,6-trifluorophenyl)acetamide
CID 71010731
2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 166341757
N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide
CID 9125891
2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 91777143
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
CID 61021113
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 43546652

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide (CID 91844210) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide is CCn1nc(C)c(NC(=O)CN(C)Cc2cccc(-c3nn[nH]n3)c2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide?
The InChIKey is LXMMJRVHWBOYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-5-26-13(3)17(12(2)22-26)19-16(27)11-25(4)10-14-7-6-8-15(9-14)18-20-23-24-21-18/h6-9H,5,10-11H2,1-4H3,(H,19,27)(H,20,21,23,24).
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide has a molecular weight of 368.45 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 91844210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).