3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide

C12H17N5O — CID 113442300

IUPAC3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCc1ccnn1C
InChIInChI=1S/C12H17N5O/c1-8-11(9(2)16-15-8)12(18)13-6-4-10-5-7-14-17(10)3/h5,7H,4,6H2,1-3H3,(H,13,18)(H,15,16)
InChIKeyZDHLLSYZHAVTTG-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.73
Rot. Bonds4

About 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 113442300) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID113442300
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCc1ccnn1C
InChIInChI=1S/C12H17N5O/c1-8-11(9(2)16-15-8)12(18)13-6-4-10-5-7-14-17(10)3/h5,7H,4,6H2,1-3H3,(H,13,18)(H,15,16)
InChIKeyZDHLLSYZHAVTTG-UHFFFAOYSA-N
XLogP0.73
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 103010377
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
2-hydroxy-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693761
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 104693705
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide
CID 43582644
3-amino-4-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004037
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 104694698
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113341286
3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722
6-[2-(2-methylpyrazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 103004649
4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide
CID 103000982

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide (CID 113442300) is 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCCc1ccnn1C.
What is the InChIKey of 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is ZDHLLSYZHAVTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-11(9(2)16-15-8)12(18)13-6-4-10-5-7-14-17(10)3/h5,7H,4,6H2,1-3H3,(H,13,18)(H,15,16).
What are the key properties of 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 113442300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).