1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine

C16H22ClN3 — CID 66156509

IUPAC1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine
SMILESCCCn1nc(C)c(-c2ccc(Cl)cc2CNC)c1C
InChIInChI=1S/C16H22ClN3/c1-5-8-20-12(3)16(11(2)19-20)15-7-6-14(17)9-13(15)10-18-4/h6-7,9,18H,5,8,10H2,1-4H3
InChIKeyALNYCSSDFPUHOM-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.95
Rot. Bonds5

About 1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine

1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine (PubChem CID 66156509) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine
PubChem CID66156509
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine
SMILESCCCn1nc(C)c(-c2ccc(Cl)cc2CNC)c1C
InChIInChI=1S/C16H22ClN3/c1-5-8-20-12(3)16(11(2)19-20)15-7-6-14(17)9-13(15)10-18-4/h6-7,9,18H,5,8,10H2,1-4H3
InChIKeyALNYCSSDFPUHOM-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine (CID 66156509) is 1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine is CCCn1nc(C)c(-c2ccc(Cl)cc2CNC)c1C.
What is the InChIKey of 1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine?
The InChIKey is ALNYCSSDFPUHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-5-8-20-12(3)16(11(2)19-20)15-7-6-14(17)9-13(15)10-18-4/h6-7,9,18H,5,8,10H2,1-4H3.
What are the key properties of 1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine has a molecular weight of 291.83 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 66156509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).