4-chloro-1-ethyl-5-[(3-ethylazetidin-3-yl)methyl]-3-methylpyrazole

C12H20ClN3 — CID 79452376

IUPAC4-chloro-1-ethyl-5-[(3-ethylazetidin-3-yl)methyl]-3-methylpyrazole
SMILESCCn1nc(C)c(Cl)c1CC1(CC)CNC1
InChIInChI=1S/C12H20ClN3/c1-4-12(7-14-8-12)6-10-11(13)9(3)15-16(10)5-2/h14H,4-8H2,1-3H3
InChIKeyHWDPUIINPIBTQY-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.41
Rot. Bonds4

About 4-chloro-1-ethyl-5-[(3-ethylazetidin-3-yl)methyl]-3-methylpyrazole

4-chloro-1-ethyl-5-[(3-ethylazetidin-3-yl)methyl]-3-methylpyrazole (PubChem CID 79452376) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 4-chloro-1-ethyl-5-[(3-ethylazetidin-3-yl)methyl]-3-methylpyrazole.

Molecular Properties

Compound Name4-chloro-1-ethyl-5-[(3-ethylazetidin-3-yl)methyl]-3-methylpyrazole
PubChem CID79452376
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name4-chloro-1-ethyl-5-[(3-ethylazetidin-3-yl)methyl]-3-methylpyrazole
SMILESCCn1nc(C)c(Cl)c1CC1(CC)CNC1
InChIInChI=1S/C12H20ClN3/c1-4-12(7-14-8-12)6-10-11(13)9(3)15-16(10)5-2/h14H,4-8H2,1-3H3
InChIKeyHWDPUIINPIBTQY-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol
CID 66024347
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopropyl]ethanamine
CID 106797396
5-[[4-(bromomethyl)oxan-4-yl]methyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 66051062
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclobutan-1-ol
CID 79081888
3-[3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 79452118
4-bromo-1-ethyl-3-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole
CID 79451117
[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 66060514
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol
CID 106823582
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]piperazine-2,6-dione
CID 66061094
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
CID 79495382
5-[2,2-bis(chloromethyl)pentyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 79448143
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N'-hydroxyethanimidamide
CID 77103862

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-5-[(3-ethylazetidin-3-yl)methyl]-3-methylpyrazole?
The IUPAC name of 4-chloro-1-ethyl-5-[(3-ethylazetidin-3-yl)methyl]-3-methylpyrazole (CID 79452376) is 4-chloro-1-ethyl-5-[(3-ethylazetidin-3-yl)methyl]-3-methylpyrazole.
What is the SMILES notation for 4-chloro-1-ethyl-5-[(3-ethylazetidin-3-yl)methyl]-3-methylpyrazole?
The canonical SMILES for 4-chloro-1-ethyl-5-[(3-ethylazetidin-3-yl)methyl]-3-methylpyrazole is CCn1nc(C)c(Cl)c1CC1(CC)CNC1.
What is the InChIKey of 4-chloro-1-ethyl-5-[(3-ethylazetidin-3-yl)methyl]-3-methylpyrazole?
The InChIKey is HWDPUIINPIBTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-4-12(7-14-8-12)6-10-11(13)9(3)15-16(10)5-2/h14H,4-8H2,1-3H3.
What are the key properties of 4-chloro-1-ethyl-5-[(3-ethylazetidin-3-yl)methyl]-3-methylpyrazole?
4-chloro-1-ethyl-5-[(3-ethylazetidin-3-yl)methyl]-3-methylpyrazole has a molecular weight of 241.77 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-5-[(3-ethylazetidin-3-yl)methyl]-3-methylpyrazole is sourced from PubChem (CID 79452376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).