1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine

C19H27BrN4O — CID 86884827

IUPAC1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCC(NCc1c(C)nn(C)c1N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C19H27BrN4O/c1-4-18(15-5-7-16(20)8-6-15)21-13-17-14(2)22-23(3)19(17)24-9-11-25-12-10-24/h5-8,18,21H,4,9-13H2,1-3H3
InChIKeyQIAOZCUMMWCVGW-UHFFFAOYSA-N
MW407.36 g/mol
LogP3.57
Rot. Bonds6

About 1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine

1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 86884827) has the molecular formula C19H27BrN4O and a molecular weight of 407.36 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID86884827
Molecular FormulaC19H27BrN4O
Molecular Weight407.36 g/mol
Exact Mass406.14
IUPAC Name1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCC(NCc1c(C)nn(C)c1N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C19H27BrN4O/c1-4-18(15-5-7-16(20)8-6-15)21-13-17-14(2)22-23(3)19(17)24-9-11-25-12-10-24/h5-8,18,21H,4,9-13H2,1-3H3
InChIKeyQIAOZCUMMWCVGW-UHFFFAOYSA-N
XLogP3.57
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine (CID 86884827) is 1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine is CCC(NCc1c(C)nn(C)c1N1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is QIAOZCUMMWCVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN4O/c1-4-18(15-5-7-16(20)8-6-15)21-13-17-14(2)22-23(3)19(17)24-9-11-25-12-10-24/h5-8,18,21H,4,9-13H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine?
1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 407.36 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 86884827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).