1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine

C9H16BrN3 — CID 115705468

IUPAC1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)Cn1cc(Br)cn1
InChIInChI=1S/C9H16BrN3/c1-7(2)12-8(3)5-13-6-9(10)4-11-13/h4,6-8,12H,5H2,1-3H3
InChIKeyRCDGSRQTTYKZQX-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.03
Rot. Bonds4

About 1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine

1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine (PubChem CID 115705468) has the molecular formula C9H16BrN3 and a molecular weight of 246.15 g/mol. Its IUPAC name is 1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine
PubChem CID115705468
Molecular FormulaC9H16BrN3
Molecular Weight246.15 g/mol
Exact Mass245.05
IUPAC Name1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)Cn1cc(Br)cn1
InChIInChI=1S/C9H16BrN3/c1-7(2)12-8(3)5-13-6-9(10)4-11-13/h4,6-8,12H,5H2,1-3H3
InChIKeyRCDGSRQTTYKZQX-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pentan-3-amine
CID 115705013
N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine
CID 115890386
(2R)-1-(4-bromopyrazol-1-yl)propan-2-ol
CID 93455524
1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine
CID 115892783
3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine
CID 62441346
(3R)-3-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-1-ol
CID 97322802
4-bromo-1-(2-methoxypropyl)pyrazole
CID 66760407
3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide
CID 19564677
1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine
CID 104585466
3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine
CID 62441347
1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine
CID 115726379
(2S)-1-(azepan-1-yl)-3-(4-bromopyrazol-1-yl)-2-methylpropan-1-one
CID 35527714

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine (CID 115705468) is 1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine is CC(C)NC(C)Cn1cc(Br)cn1.
What is the InChIKey of 1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine?
The InChIKey is RCDGSRQTTYKZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3/c1-7(2)12-8(3)5-13-6-9(10)4-11-13/h4,6-8,12H,5H2,1-3H3.
What are the key properties of 1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine?
1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine has a molecular weight of 246.15 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 115705468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).