[3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine

C16H20ClN3O — CID 64801737

IUPAC[3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2ccn(C3CCCC3)n2)c(Cl)c1
InChIInChI=1S/C16H20ClN3O/c17-15-9-12(10-18)5-6-16(15)21-11-13-7-8-20(19-13)14-3-1-2-4-14/h5-9,14H,1-4,10-11,18H2
InChIKeyXBDLXCWWWHNKNC-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.69
Rot. Bonds5

About [3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine

[3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine (PubChem CID 64801737) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is [3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine
PubChem CID64801737
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name[3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2ccn(C3CCCC3)n2)c(Cl)c1
InChIInChI=1S/C16H20ClN3O/c17-15-9-12(10-18)5-6-16(15)21-11-13-7-8-20(19-13)14-3-1-2-4-14/h5-9,14H,1-4,10-11,18H2
InChIKeyXBDLXCWWWHNKNC-UHFFFAOYSA-N
XLogP3.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-1-cyclopentylpyrazole
CID 64785349
[3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64800020
3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole
CID 64801690
2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile
CID 80963175
3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole
CID 64784762
3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole
CID 64779344
3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile
CID 167879327
[2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanol
CID 64785535
5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile
CID 80962290
3-bromo-5-chloro-2-[(1-cyclopentylpyrazol-3-yl)methoxy]aniline
CID 64799239
1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole
CID 64779347
1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 64801364

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine (CID 64801737) is [3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine is NCc1ccc(OCc2ccn(C3CCCC3)n2)c(Cl)c1.
What is the InChIKey of [3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine?
The InChIKey is XBDLXCWWWHNKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c17-15-9-12(10-18)5-6-16(15)21-11-13-7-8-20(19-13)14-3-1-2-4-14/h5-9,14H,1-4,10-11,18H2.
What are the key properties of [3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine?
[3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine has a molecular weight of 305.81 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 64801737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).