1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine

C14H18ClN3O — CID 114857848

IUPAC1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
SMILESCCCn1cc(Oc2cc(Cl)ccc2CNC)cn1
InChIInChI=1S/C14H18ClN3O/c1-3-6-18-10-13(9-17-18)19-14-7-12(15)5-4-11(14)8-16-2/h4-5,7,9-10,16H,3,6,8H2,1-2H3
InChIKeyIIDCJHXFOZCVCB-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.46
Rot. Bonds6

About 1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine

1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine (PubChem CID 114857848) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
PubChem CID114857848
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
SMILESCCCn1cc(Oc2cc(Cl)ccc2CNC)cn1
InChIInChI=1S/C14H18ClN3O/c1-3-6-18-10-13(9-17-18)19-14-7-12(15)5-4-11(14)8-16-2/h4-5,7,9-10,16H,3,6,8H2,1-2H3
InChIKeyIIDCJHXFOZCVCB-UHFFFAOYSA-N
XLogP3.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114857852
[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol
CID 114846259
N-[[4-chloro-2-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-1-amine
CID 114857831
5-chloro-2-(1-propylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116801331
1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine
CID 114856068
1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44562614
1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 116802117
[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
CID 114856813
4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole
CID 114054833
N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802309
1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 44562943
1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855010

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine (CID 114857848) is 1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine is CCCn1cc(Oc2cc(Cl)ccc2CNC)cn1.
What is the InChIKey of 1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine?
The InChIKey is IIDCJHXFOZCVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-3-6-18-10-13(9-17-18)19-14-7-12(15)5-4-11(14)8-16-2/h4-5,7,9-10,16H,3,6,8H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine?
1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine has a molecular weight of 279.77 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 114857848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).