3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine

C10H11BrN4 — CID 114663317

IUPAC3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine
SMILESCn1ncc(Br)c1Cc1cnccc1N
InChIInChI=1S/C10H11BrN4/c1-15-10(8(11)6-14-15)4-7-5-13-3-2-9(7)12/h2-3,5-6H,4H2,1H3,(H2,12,13)
InChIKeyMNCKRVYDXZFOLA-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.75
Rot. Bonds2

About 3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine

3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine (PubChem CID 114663317) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine
PubChem CID114663317
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine
SMILESCn1ncc(Br)c1Cc1cnccc1N
InChIInChI=1S/C10H11BrN4/c1-15-10(8(11)6-14-15)4-7-5-13-3-2-9(7)12/h2-3,5-6H,4H2,1H3,(H2,12,13)
InChIKeyMNCKRVYDXZFOLA-UHFFFAOYSA-N
XLogP1.75
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine
CID 130592205
(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 17024779
3-(bromomethyl)pyridin-4-amine
CID 18674607
3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine
CID 65325978
3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine
CID 130527583
3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine
CID 107514276
4-bromo-1-methyl-5-(pyrrolidin-1-ylmethyl)pyrazole
CID 130616658
3-[(3-methoxypyrazin-2-yl)methyl]pyridin-4-amine
CID 104516357
4-bromo-5-(3-bromopropyl)-1-methylpyrazole
CID 114665343
3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine
CID 83895039
1-(4-amino-3-pyridinyl)-3-(2-bromophenyl)sulfanylpropan-2-one
CID 66144236
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine;hydrochloride
CID 120897129

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine (CID 114663317) is 3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine is Cn1ncc(Br)c1Cc1cnccc1N.
What is the InChIKey of 3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine?
The InChIKey is MNCKRVYDXZFOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-15-10(8(11)6-14-15)4-7-5-13-3-2-9(7)12/h2-3,5-6H,4H2,1H3,(H2,12,13).
What are the key properties of 3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine?
3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine has a molecular weight of 267.13 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 114663317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).