1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine

C12H20BrN3 — CID 115892783

IUPAC1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine
SMILESCC(Cn1cc(Br)cn1)NCC1(C)CCC1
InChIInChI=1S/C12H20BrN3/c1-10(7-16-8-11(13)6-15-16)14-9-12(2)4-3-5-12/h6,8,10,14H,3-5,7,9H2,1-2H3
InChIKeyQDQZMVQWUAPZPD-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.81
Rot. Bonds5

About 1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine

1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine (PubChem CID 115892783) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine
PubChem CID115892783
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine
SMILESCC(Cn1cc(Br)cn1)NCC1(C)CCC1
InChIInChI=1S/C12H20BrN3/c1-10(7-16-8-11(13)6-15-16)14-9-12(2)4-3-5-12/h6,8,10,14H,3-5,7,9H2,1-2H3
InChIKeyQDQZMVQWUAPZPD-UHFFFAOYSA-N
XLogP2.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine
CID 115705468
N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pentan-3-amine
CID 115705013
1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine
CID 104585466
(2R)-1-(4-bromopyrazol-1-yl)propan-2-ol
CID 93455524
1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine
CID 115726379
3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine
CID 62441347
N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine
CID 115890386
3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine
CID 62441346
(2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol
CID 97231624
4-bromo-1-(2-methoxypropyl)pyrazole
CID 66760407
3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide
CID 19564677
(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-[(1-methylcyclobutyl)methyl]propan-2-amine?
The IUPAC name of 1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine (CID 115892783) is 1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine is CC(Cn1cc(Br)cn1)NCC1(C)CCC1.
What is the InChIKey of 1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine?
The InChIKey is QDQZMVQWUAPZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-10(7-16-8-11(13)6-15-16)14-9-12(2)4-3-5-12/h6,8,10,14H,3-5,7,9H2,1-2H3.
What are the key properties of 1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine?
1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine has a molecular weight of 286.22 g/mol, XLogP of 2.81, 5 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-[(1-methylcyclobutyl)methyl]propan-2-amine is sourced from PubChem (CID 115892783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).