N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]-2-(methylamino)acetamide;hydrochloride

C14H18BrClN4O — CID 119800728

IUPACN-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1.Cl
InChIInChI=1S/C14H17BrN4O.ClH/c1-16-9-14(20)18-13-4-2-11(3-5-13)6-7-19-10-12(15)8-17-19;/h2-5,8,10,16H,6-7,9H2,1H3,(H,18,20);1H
InChIKeyKHGXFCUSQQAQEC-UHFFFAOYSA-N
MW373.68 g/mol
LogP2.47
Rot. Bonds6

About N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]-2-(methylamino)acetamide;hydrochloride

N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119800728) has the molecular formula C14H18BrClN4O and a molecular weight of 373.68 g/mol. Its IUPAC name is N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119800728
Molecular FormulaC14H18BrClN4O
Molecular Weight373.68 g/mol
Exact Mass372.04
IUPAC NameN-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1.Cl
InChIInChI=1S/C14H17BrN4O.ClH/c1-16-9-14(20)18-13-4-2-11(3-5-13)6-7-19-10-12(15)8-17-19;/h2-5,8,10,16H,6-7,9H2,1H3,(H,18,20);1H
InChIKeyKHGXFCUSQQAQEC-UHFFFAOYSA-N
XLogP2.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119800732
N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide
CID 119333340
3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide
CID 19561643
N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-cyanoacetamide
CID 168521847
N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide
CID 47263148
1-[3-(4-bromopyrazol-1-yl)propyl]-3-(4-butylphenyl)thiourea
CID 17300468
2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 19524588
3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
CID 19561665
methyl 2-amino-5-[2-(4-bromopyrazol-1-yl)ethyl]benzoate
CID 65435784
2-(methylamino)-N-(4-pentylphenyl)acetamide
CID 61249144
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 47263262

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]-2-(methylamino)acetamide;hydrochloride (CID 119800728) is N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1.Cl.
What is the InChIKey of N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is KHGXFCUSQQAQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O.ClH/c1-16-9-14(20)18-13-4-2-11(3-5-13)6-7-19-10-12(15)8-17-19;/h2-5,8,10,16H,6-7,9H2,1H3,(H,18,20);1H.
What are the key properties of N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]-2-(methylamino)acetamide;hydrochloride?
N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 373.68 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119800728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).