3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine

C9H16BrN3 — CID 114664458

IUPAC3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)Cc1c(Br)cnn1C
InChIInChI=1S/C9H16BrN3/c1-7(5-11-2)4-9-8(10)6-12-13(9)3/h6-7,11H,4-5H2,1-3H3
InChIKeyFHDNFBPZKGIRRF-UHFFFAOYSA-N
MW246.15 g/mol
LogP1.58
Rot. Bonds4

About 3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine

3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine (PubChem CID 114664458) has the molecular formula C9H16BrN3 and a molecular weight of 246.15 g/mol. Its IUPAC name is 3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine
PubChem CID114664458
Molecular FormulaC9H16BrN3
Molecular Weight246.15 g/mol
Exact Mass245.05
IUPAC Name3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)Cc1c(Br)cnn1C
InChIInChI=1S/C9H16BrN3/c1-7(5-11-2)4-9-8(10)6-12-13(9)3/h6-7,11H,4-5H2,1-3H3
InChIKeyFHDNFBPZKGIRRF-UHFFFAOYSA-N
XLogP1.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 51.58
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
3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine
CID 114667287
4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one
CID 114446718
N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine
CID 114667316
(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 17024779
3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 114664528
N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62530457
2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine
CID 83843732
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 114664544
3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine
CID 114664456
ethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate
CID 83441099
N-[3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropyl]cyclopropanamine
CID 114664518

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine (CID 114664458) is 3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine is CNCC(C)Cc1c(Br)cnn1C.
What is the InChIKey of 3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is FHDNFBPZKGIRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3/c1-7(5-11-2)4-9-8(10)6-12-13(9)3/h6-7,11H,4-5H2,1-3H3.
What are the key properties of 3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine?
3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 246.15 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 114664458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).