1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine

C14H18BrN3 — CID 66441573

IUPAC1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(-c2ccc(Br)cc2)c1C(C)C
InChIInChI=1S/C14H18BrN3/c1-10(2)14-11(8-16-3)9-17-18(14)13-6-4-12(15)5-7-13/h4-7,9-10,16H,8H2,1-3H3
InChIKeyLTFFMSGVLUIECS-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.48
Rot. Bonds4

About 1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine

1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 66441573) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
PubChem CID66441573
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(-c2ccc(Br)cc2)c1C(C)C
InChIInChI=1S/C14H18BrN3/c1-10(2)14-11(8-16-3)9-17-18(14)13-6-4-12(15)5-7-13/h4-7,9-10,16H,8H2,1-3H3
InChIKeyLTFFMSGVLUIECS-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine (CID 66441573) is 1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine is CNCc1cnn(-c2ccc(Br)cc2)c1C(C)C.
What is the InChIKey of 1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is LTFFMSGVLUIECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-10(2)14-11(8-16-3)9-17-18(14)13-6-4-12(15)5-7-13/h4-7,9-10,16H,8H2,1-3H3.
What are the key properties of 1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine?
1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 308.22 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66441573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).