N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide

C12H17N5O — CID 35761321

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2ccn(C)n2)n1
InChIInChI=1S/C12H17N5O/c1-9-8-10(2)17(14-9)7-5-13-12(18)11-4-6-16(3)15-11/h4,6,8H,5,7H2,1-3H3,(H,13,18)
InChIKeyMARFNIHRNCNBNV-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.66
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide (PubChem CID 35761321) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
PubChem CID35761321
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2ccn(C)n2)n1
InChIInChI=1S/C12H17N5O/c1-9-8-10(2)17(14-9)7-5-13-12(18)11-4-6-16(3)15-11/h4,6,8H,5,7H2,1-3H3,(H,13,18)
InChIKeyMARFNIHRNCNBNV-UHFFFAOYSA-N
XLogP0.66
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxypyridazine-3-carboxamide
CID 90509385
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2,6-dimethoxybenzamide
CID 35525595
2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 7444942
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide
CID 19270518
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 35525667
2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide
CID 82110482
N-(2-cyanoethyl)-1-methylpyrazole-3-carboxamide
CID 103117795
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 103800655
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide
CID 35525612
1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 110747708

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide (CID 35761321) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide is Cc1cc(C)n(CCNC(=O)c2ccn(C)n2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is MARFNIHRNCNBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-8-10(2)17(14-9)7-5-13-12(18)11-4-6-16(3)15-11/h4,6,8H,5,7H2,1-3H3,(H,13,18).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 35761321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).