1-ethyl-3-methyl-4-(1H-pyrazol-5-yl)pyrazole

C9H12N4 — CID 7017815

IUPAC1-ethyl-3-methyl-4-(1H-pyrazol-5-yl)pyrazole
SMILESCCn1cc(-c2ccn[nH]2)c(C)n1
InChIInChI=1S/C9H12N4/c1-3-13-6-8(7(2)12-13)9-4-5-10-11-9/h4-6H,3H2,1-2H3,(H,10,11)
InChIKeyKKQDQBOHKDZMTM-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.60
Rot. Bonds2

About 1-ethyl-3-methyl-4-(1H-pyrazol-5-yl)pyrazole

1-ethyl-3-methyl-4-(1H-pyrazol-5-yl)pyrazole (PubChem CID 7017815) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-(1H-pyrazol-5-yl)pyrazole.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-(1H-pyrazol-5-yl)pyrazole
PubChem CID7017815
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1-ethyl-3-methyl-4-(1H-pyrazol-5-yl)pyrazole
SMILESCCn1cc(-c2ccn[nH]2)c(C)n1
InChIInChI=1S/C9H12N4/c1-3-13-6-8(7(2)12-13)9-4-5-10-11-9/h4-6H,3H2,1-2H3,(H,10,11)
InChIKeyKKQDQBOHKDZMTM-UHFFFAOYSA-N
XLogP1.60
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-(1H-pyrazol-5-yl)pyrazole?
The IUPAC name of 1-ethyl-3-methyl-4-(1H-pyrazol-5-yl)pyrazole (CID 7017815) is 1-ethyl-3-methyl-4-(1H-pyrazol-5-yl)pyrazole.
What is the SMILES notation for 1-ethyl-3-methyl-4-(1H-pyrazol-5-yl)pyrazole?
The canonical SMILES for 1-ethyl-3-methyl-4-(1H-pyrazol-5-yl)pyrazole is CCn1cc(-c2ccn[nH]2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-4-(1H-pyrazol-5-yl)pyrazole?
The InChIKey is KKQDQBOHKDZMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-3-13-6-8(7(2)12-13)9-4-5-10-11-9/h4-6H,3H2,1-2H3,(H,10,11).
What are the key properties of 1-ethyl-3-methyl-4-(1H-pyrazol-5-yl)pyrazole?
1-ethyl-3-methyl-4-(1H-pyrazol-5-yl)pyrazole has a molecular weight of 176.22 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4-(1H-pyrazol-5-yl)pyrazole is sourced from PubChem (CID 7017815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).