N'-[5-[(2-bromophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine

C13H17BrN4 — CID 117210339

IUPACN'-[5-[(2-bromophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
SMILESCn1ncc(NCCN)c1Cc1ccccc1Br
InChIInChI=1S/C13H17BrN4/c1-18-13(12(9-17-18)16-7-6-15)8-10-4-2-3-5-11(10)14/h2-5,9,16H,6-8,15H2,1H3
InChIKeyUCCLFQZTXXTLLP-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.14
Rot. Bonds5

About N'-[5-[(2-bromophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine

N'-[5-[(2-bromophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine (PubChem CID 117210339) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is N'-[5-[(2-bromophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-[(2-bromophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
PubChem CID117210339
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC NameN'-[5-[(2-bromophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
SMILESCn1ncc(NCCN)c1Cc1ccccc1Br
InChIInChI=1S/C13H17BrN4/c1-18-13(12(9-17-18)16-7-6-15)8-10-4-2-3-5-11(10)14/h2-5,9,16H,6-8,15H2,1H3
InChIKeyUCCLFQZTXXTLLP-UHFFFAOYSA-N
XLogP2.14
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine
CID 117210311
N'-[5-[(3-chlorophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
CID 117210313
N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
CID 117210316
2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol
CID 136934476
N'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine
CID 117210259
N'-[1-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propane-1,3-diamine
CID 117210317
3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol
CID 117210212
(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 17024779
5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
CID 114444079
3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine
CID 114663317
2-[(2-bromophenyl)methyl]-N-methylaniline
CID 67799221
3-[1-[(2-bromophenyl)methyl]-5-methylpyrazol-4-yl]propan-1-amine
CID 63276495

Frequently Asked Questions

What is the IUPAC name of N'-[5-[(2-bromophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-[(2-bromophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine (CID 117210339) is N'-[5-[(2-bromophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-[(2-bromophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-[(2-bromophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine is Cn1ncc(NCCN)c1Cc1ccccc1Br.
What is the InChIKey of N'-[5-[(2-bromophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine?
The InChIKey is UCCLFQZTXXTLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-18-13(12(9-17-18)16-7-6-15)8-10-4-2-3-5-11(10)14/h2-5,9,16H,6-8,15H2,1H3.
What are the key properties of N'-[5-[(2-bromophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine?
N'-[5-[(2-bromophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine has a molecular weight of 309.21 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[(2-bromophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 117210339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).