2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide

C14H17BrN4O — CID 60931333

IUPAC2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC(C)c2ccc(Br)cc2)cn1
InChIInChI=1S/C14H17BrN4O/c1-10(11-3-5-12(15)6-4-11)18-13-7-17-19(8-13)9-14(20)16-2/h3-8,10,18H,9H2,1-2H3,(H,16,20)
InChIKeyMYIPGHWHCUYQHD-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.56
Rot. Bonds5

About 2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide

2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide (PubChem CID 60931333) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
PubChem CID60931333
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC(C)c2ccc(Br)cc2)cn1
InChIInChI=1S/C14H17BrN4O/c1-10(11-3-5-12(15)6-4-11)18-13-7-17-19(8-13)9-14(20)16-2/h3-8,10,18H,9H2,1-2H3,(H,16,20)
InChIKeyMYIPGHWHCUYQHD-UHFFFAOYSA-N
XLogP2.56
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-(4-hydroxyphenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932192
N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide
CID 54866547
N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 60932420
2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 61334554
2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 113354708
2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 62534727
2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 63752931
N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide
CID 54866432
N-cyclopropyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide
CID 60931706
2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide
CID 43695171
3,5-dibromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 103908065
N-(2-hydroxyethyl)-2-[4-(1-naphthalen-2-ylethylamino)pyrazol-1-yl]acetamide
CID 110017473

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide (CID 60931333) is 2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(NC(C)c2ccc(Br)cc2)cn1.
What is the InChIKey of 2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is MYIPGHWHCUYQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-10(11-3-5-12(15)6-4-11)18-13-7-17-19(8-13)9-14(20)16-2/h3-8,10,18H,9H2,1-2H3,(H,16,20).
What are the key properties of 2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide?
2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 337.22 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 60931333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).