5-chloro-3,4-diethyl-1-methylpyrazole

C8H13ClN2 — CID 142045538

IUPAC5-chloro-3,4-diethyl-1-methylpyrazole
SMILESCCc1nn(C)c(Cl)c1CC
InChIInChI=1S/C8H13ClN2/c1-4-6-7(5-2)10-11(3)8(6)9/h4-5H2,1-3H3
InChIKeyMMZVBRWZDPXMHU-UHFFFAOYSA-N
MW172.66 g/mol
LogP2.20
Rot. Bonds2

About 5-chloro-3,4-diethyl-1-methylpyrazole

5-chloro-3,4-diethyl-1-methylpyrazole (PubChem CID 142045538) has the molecular formula C8H13ClN2 and a molecular weight of 172.66 g/mol. Its IUPAC name is 5-chloro-3,4-diethyl-1-methylpyrazole.

Molecular Properties

Compound Name5-chloro-3,4-diethyl-1-methylpyrazole
PubChem CID142045538
Molecular FormulaC8H13ClN2
Molecular Weight172.66 g/mol
Exact Mass172.08
IUPAC Name5-chloro-3,4-diethyl-1-methylpyrazole
SMILESCCc1nn(C)c(Cl)c1CC
InChIInChI=1S/C8H13ClN2/c1-4-6-7(5-2)10-11(3)8(6)9/h4-5H2,1-3H3
InChIKeyMMZVBRWZDPXMHU-UHFFFAOYSA-N
XLogP2.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one
CID 83880828
2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655448
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine
CID 115732900
4,5-diethyl-2-methylpyrazol-3-amine;hydrate
CID 47000727
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 115630423
5-chloro-4-(chloromethyl)-1-methyl-3-propylpyrazole
CID 43156574
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924571
[1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol
CID 111579370
3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 111469232
5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide
CID 130628105
(1R)-N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine
CID 99930350
4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56740560

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,4-diethyl-1-methylpyrazole?
The IUPAC name of 5-chloro-3,4-diethyl-1-methylpyrazole (CID 142045538) is 5-chloro-3,4-diethyl-1-methylpyrazole.
What is the SMILES notation for 5-chloro-3,4-diethyl-1-methylpyrazole?
The canonical SMILES for 5-chloro-3,4-diethyl-1-methylpyrazole is CCc1nn(C)c(Cl)c1CC.
What is the InChIKey of 5-chloro-3,4-diethyl-1-methylpyrazole?
The InChIKey is MMZVBRWZDPXMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2/c1-4-6-7(5-2)10-11(3)8(6)9/h4-5H2,1-3H3.
What are the key properties of 5-chloro-3,4-diethyl-1-methylpyrazole?
5-chloro-3,4-diethyl-1-methylpyrazole has a molecular weight of 172.66 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,4-diethyl-1-methylpyrazole is sourced from PubChem (CID 142045538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).