1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol

C15H26ClN3O — CID 114952590

IUPAC1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCCc1nn(CC)c(CN(C)CC2(O)CCCC2)c1Cl
InChIInChI=1S/C15H26ClN3O/c1-4-12-14(16)13(19(5-2)17-12)10-18(3)11-15(20)8-6-7-9-15/h20H,4-11H2,1-3H3
InChIKeyPKKMSLSYXZPKKL-UHFFFAOYSA-N
MW299.85 g/mol
LogP2.86
Rot. Bonds6

About 1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol

1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114952590) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID114952590
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCCc1nn(CC)c(CN(C)CC2(O)CCCC2)c1Cl
InChIInChI=1S/C15H26ClN3O/c1-4-12-14(16)13(19(5-2)17-12)10-18(3)11-15(20)8-6-7-9-15/h20H,4-11H2,1-3H3
InChIKeyPKKMSLSYXZPKKL-UHFFFAOYSA-N
XLogP2.86
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114953005
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106614313
4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
CID 66036687
3-bromo-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methylbutan-1-amine
CID 113499968
N-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine
CID 169145998
1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclooctane-1-carbonitrile
CID 80610063
4-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79113863
[1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol
CID 103966491
4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
CID 106798368
1-(4-chloro-1,3-diethylpyrazol-5-yl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
CID 115455672
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 66026711
[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 66060514

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol (CID 114952590) is 1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol is CCc1nn(CC)c(CN(C)CC2(O)CCCC2)c1Cl.
What is the InChIKey of 1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is PKKMSLSYXZPKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-4-12-14(16)13(19(5-2)17-12)10-18(3)11-15(20)8-6-7-9-15/h20H,4-11H2,1-3H3.
What are the key properties of 1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 299.85 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114952590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).