4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide

C12H18N6O — CID 66119082

IUPAC4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCCc2cnc[nH]2)c1N
InChIInChI=1S/C12H18N6O/c1-3-9-10(13)11(18(2)17-9)12(19)15-5-4-8-6-14-7-16-8/h6-7H,3-5,13H2,1-2H3,(H,14,16)(H,15,19)
InChIKeyIZXMBSHJTQUSJR-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.26
Rot. Bonds5

About 4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide

4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 66119082) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide
PubChem CID66119082
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCCc2cnc[nH]2)c1N
InChIInChI=1S/C12H18N6O/c1-3-9-10(13)11(18(2)17-9)12(19)15-5-4-8-6-14-7-16-8/h6-7H,3-5,13H2,1-2H3,(H,14,16)(H,15,19)
InChIKeyIZXMBSHJTQUSJR-UHFFFAOYSA-N
XLogP0.26
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123377
4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide
CID 79756140
4-amino-3-ethyl-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123361
4-amino-3-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1-methylpyrazole-5-carboxamide
CID 66116760
4-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122995
tert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate
CID 104932662
4-amino-3-ethyl-1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-5-carboxamide
CID 66123380
4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 115405271
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 106006327
4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide
CID 106006154

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide (CID 66119082) is 4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCCc2cnc[nH]2)c1N.
What is the InChIKey of 4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is IZXMBSHJTQUSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-3-9-10(13)11(18(2)17-9)12(19)15-5-4-8-6-14-7-16-8/h6-7H,3-5,13H2,1-2H3,(H,14,16)(H,15,19).
What are the key properties of 4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide?
4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66119082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).