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

C16H15BrN4 — CID 106875582

IUPAC3-bromo-4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyridin-2-amine
SMILESCc1ccnc(NCc2ccc(-c3ccn[nH]3)cc2)c1Br
InChIInChI=1S/C16H15BrN4/c1-11-6-8-18-16(15(11)17)19-10-12-2-4-13(5-3-12)14-7-9-20-21-14/h2-9H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyNBUPPUIGPOOJQJ-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.15
Rot. Bonds4

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

3-bromo-4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyridin-2-amine (PubChem CID 106875582) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyridin-2-amine
PubChem CID106875582
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name3-bromo-4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyridin-2-amine
SMILESCc1ccnc(NCc2ccc(-c3ccn[nH]3)cc2)c1Br
InChIInChI=1S/C16H15BrN4/c1-11-6-8-18-16(15(11)17)19-10-12-2-4-13(5-3-12)14-7-9-20-21-14/h2-9H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyNBUPPUIGPOOJQJ-UHFFFAOYSA-N
XLogP4.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 106875469
1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one
CID 62940084
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine
CID 106875693
3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 106875724
4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol
CID 43733257
3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine
CID 106875542
3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine
CID 106875769
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907
4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 106876006
2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974643
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine
CID 106876104
3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106896632

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyridin-2-amine (CID 106875582) is 3-bromo-4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyridin-2-amine is Cc1ccnc(NCc2ccc(-c3ccn[nH]3)cc2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyridin-2-amine?
The InChIKey is NBUPPUIGPOOJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-11-6-8-18-16(15(11)17)19-10-12-2-4-13(5-3-12)14-7-9-20-21-14/h2-9H,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-bromo-4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyridin-2-amine?
3-bromo-4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyridin-2-amine has a molecular weight of 343.23 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 106875582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).