4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline

C15H12BrClN4 — CID 43774965

IUPAC4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
SMILESClc1cc(Br)ccc1NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C15H12BrClN4/c16-12-3-4-14(13(17)6-12)19-8-11-9-20-21-15(11)10-2-1-5-18-7-10/h1-7,9,19H,8H2,(H,20,21)
InChIKeyYUHIUTPDRAPSRH-UHFFFAOYSA-N
MW363.65 g/mol
LogP4.50
Rot. Bonds4

About 4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline

4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline (PubChem CID 43774965) has the molecular formula C15H12BrClN4 and a molecular weight of 363.65 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
PubChem CID43774965
Molecular FormulaC15H12BrClN4
Molecular Weight363.65 g/mol
Exact Mass361.99
IUPAC Name4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
SMILESClc1cc(Br)ccc1NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C15H12BrClN4/c16-12-3-4-14(13(17)6-12)19-8-11-9-20-21-15(11)10-2-1-5-18-7-10/h1-7,9,19H,8H2,(H,20,21)
InChIKeyYUHIUTPDRAPSRH-UHFFFAOYSA-N
XLogP4.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.65
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710
3-bromo-2-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
CID 103890740
2-iodo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43773509
5-bromo-2-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]aniline
CID 60780882
1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 61402124
3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43761640
6-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 81498728
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
4-bromo-2-chloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66415619
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine
CID 62416311
(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
CID 43753528
4-bromo-2-chloro-N-(pyrimidin-5-ylmethyl)aniline
CID 62758955

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
The IUPAC name of 4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline (CID 43774965) is 4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
The canonical SMILES for 4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline is Clc1cc(Br)ccc1NCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of 4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
The InChIKey is YUHIUTPDRAPSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN4/c16-12-3-4-14(13(17)6-12)19-8-11-9-20-21-15(11)10-2-1-5-18-7-10/h1-7,9,19H,8H2,(H,20,21).
What are the key properties of 4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline has a molecular weight of 363.65 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 43774965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).