1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride

C15H20BrClN4O — CID 120830367

IUPAC1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cnn(-c2ccc(Br)cc2)c1C.Cl
InChIInChI=1S/C15H19BrN4O.ClH/c1-10(17-3)8-18-15(21)14-9-19-20(11(14)2)13-6-4-12(16)5-7-13;/h4-7,9-10,17H,8H2,1-3H3,(H,18,21);1H
InChIKeyNSKAVWHVGIFBCR-UHFFFAOYSA-N
MW387.71 g/mol
LogP2.70
Rot. Bonds5

About 1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride

1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride (PubChem CID 120830367) has the molecular formula C15H20BrClN4O and a molecular weight of 387.71 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
PubChem CID120830367
Molecular FormulaC15H20BrClN4O
Molecular Weight387.71 g/mol
Exact Mass386.05
IUPAC Name1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cnn(-c2ccc(Br)cc2)c1C.Cl
InChIInChI=1S/C15H19BrN4O.ClH/c1-10(17-3)8-18-15(21)14-9-19-20(11(14)2)13-6-4-12(16)5-7-13;/h4-7,9-10,17H,8H2,1-3H3,(H,18,21);1H
InChIKeyNSKAVWHVGIFBCR-UHFFFAOYSA-N
XLogP2.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.71
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-bromophenyl)-5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride (CID 120830367) is 1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride is CNC(C)CNC(=O)c1cnn(-c2ccc(Br)cc2)c1C.Cl.
What is the InChIKey of 1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride?
The InChIKey is NSKAVWHVGIFBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O.ClH/c1-10(17-3)8-18-15(21)14-9-19-20(11(14)2)13-6-4-12(16)5-7-13;/h4-7,9-10,17H,8H2,1-3H3,(H,18,21);1H.
What are the key properties of 1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride?
1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride has a molecular weight of 387.71 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120830367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).