(2-ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone

C10H12N4O — CID 90186040

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone
SMILESCCn1nc(C)cc1C(=O)n1cccn1
InChIInChI=1S/C10H12N4O/c1-3-13-9(7-8(2)12-13)10(15)14-6-4-5-11-14/h4-7H,3H2,1-2H3
InChIKeySNYHLOCRTWNCBW-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.10
Rot. Bonds2

About (2-ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone

(2-ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone (PubChem CID 90186040) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone
PubChem CID90186040
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone
SMILESCCn1nc(C)cc1C(=O)n1cccn1
InChIInChI=1S/C10H12N4O/c1-3-13-9(7-8(2)12-13)10(15)14-6-4-5-11-14/h4-7H,3H2,1-2H3
InChIKeySNYHLOCRTWNCBW-UHFFFAOYSA-N
XLogP1.10
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
(1,5-Dimethylpyrazol-3-yl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
CID 2738511
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
1-methyl-5-(1-methyl-1H-pyrazole-5-carbonyl)-1H-pyrazole
CID 105100370
2-(4-Iodo-3,5-dimethylpyrazolyl)-1-pyrazolylethan-1-one
CID 1511691
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4772979
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 17020976
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531231
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19575300
N-[(1-Ethyl-5-methyl-1H-pyrazol-4-YL)methyl]-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 19575757
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 19575903

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone (CID 90186040) is (2-ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone is CCn1nc(C)cc1C(=O)n1cccn1.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone?
The InChIKey is SNYHLOCRTWNCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-3-13-9(7-8(2)12-13)10(15)14-6-4-5-11-14/h4-7H,3H2,1-2H3.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone?
(2-ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone has a molecular weight of 204.23 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 90186040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).