4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole

C16H28ClN3 — CID 66466758

IUPAC4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
SMILESCCc1nn(CC)c(CC2(CC(C)C)CCCN2)c1Cl
InChIInChI=1S/C16H28ClN3/c1-5-13-15(17)14(20(6-2)19-13)11-16(10-12(3)4)8-7-9-18-16/h12,18H,5-11H2,1-4H3
InChIKeyJYEOIADYMYFGNP-UHFFFAOYSA-N
MW297.87 g/mol
LogP3.83
Rot. Bonds6

About 4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole

4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole (PubChem CID 66466758) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is 4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole.

Molecular Properties

Compound Name4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
PubChem CID66466758
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC Name4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
SMILESCCc1nn(CC)c(CC2(CC(C)C)CCCN2)c1Cl
InChIInChI=1S/C16H28ClN3/c1-5-13-15(17)14(20(6-2)19-13)11-16(10-12(3)4)8-7-9-18-16/h12,18H,5-11H2,1-4H3
InChIKeyJYEOIADYMYFGNP-UHFFFAOYSA-N
XLogP3.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-trimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 54592636
5-chloro-3-methyl-1-(2-methylpropyl)-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 71756122
5-chloro-1,3-dimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 71758738
4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-1,3,5-trimethylpyrazole
CID 69932273
4-[(4-Fluoropyrrolidin-2-yl)methyl]-1,3,5-trimethylpyrazole
CID 77746014
4-Chloro-1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole
CID 117670184
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 65855626
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 65855828
1-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 65863161
1-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 65863346
1-[(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 65868247
1-[(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 65868249

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole?
The IUPAC name of 4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole (CID 66466758) is 4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole.
What is the SMILES notation for 4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole?
The canonical SMILES for 4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole is CCc1nn(CC)c(CC2(CC(C)C)CCCN2)c1Cl.
What is the InChIKey of 4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole?
The InChIKey is JYEOIADYMYFGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-5-13-15(17)14(20(6-2)19-13)11-16(10-12(3)4)8-7-9-18-16/h12,18H,5-11H2,1-4H3.
What are the key properties of 4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole?
4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole has a molecular weight of 297.87 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole is sourced from PubChem (CID 66466758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).