(4-bromo-1-methylpyrazol-5-yl)methanamine

C5H8BrN3 — CID 17024779

IUPAC(4-bromo-1-methylpyrazol-5-yl)methanamine
SMILESCn1ncc(Br)c1CN
InChIInChI=1S/C5H8BrN3/c1-9-5(2-7)4(6)3-8-9/h3H,2,7H2,1H3
InChIKeySTMQILHOIXHTQS-UHFFFAOYSA-N
MW190.04 g/mol
LogP0.64
Rot. Bonds1

About (4-bromo-1-methylpyrazol-5-yl)methanamine

(4-bromo-1-methylpyrazol-5-yl)methanamine (PubChem CID 17024779) has the molecular formula C5H8BrN3 and a molecular weight of 190.04 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)methanamine
PubChem CID17024779
Molecular FormulaC5H8BrN3
Molecular Weight190.04 g/mol
Exact Mass188.99
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)methanamine
SMILESCn1ncc(Br)c1CN
InChIInChI=1S/C5H8BrN3/c1-9-5(2-7)4(6)3-8-9/h3H,2,7H2,1H3
InChIKeySTMQILHOIXHTQS-UHFFFAOYSA-N
XLogP0.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine
CID 83895039
4-bromo-1-methyl-5-(pyrrolidin-1-ylmethyl)pyrazole
CID 130616658
4-bromo-5-(3-bromopropyl)-1-methylpyrazole
CID 114665343
4-bromo-5-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpyrazole
CID 170563364
3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine
CID 114663317
4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole
CID 175049382
(4-cyclopropyl-1-methylpyrazol-5-yl)methanamine
CID 105422577
4-bromo-1-methylpyrazol-5-amine;hydrobromide
CID 122156616
1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone
CID 165464413
1-(4-bromo-1-methylpyrazol-5-yl)pentan-3-one
CID 114663538
3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine
CID 114664458
2-(4-bromo-1-propylpyrazol-5-yl)ethanamine
CID 114662670

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)methanamine (CID 17024779) is (4-bromo-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)methanamine is Cn1ncc(Br)c1CN.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)methanamine?
The InChIKey is STMQILHOIXHTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3/c1-9-5(2-7)4(6)3-8-9/h3H,2,7H2,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)methanamine?
(4-bromo-1-methylpyrazol-5-yl)methanamine has a molecular weight of 190.04 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 17024779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).