N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-1-methylpyrazol-5-amine

C10H14BrN5 — CID 178129063

IUPACN-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-1-methylpyrazol-5-amine
SMILESCCc1cc(Nc2cn(C)nc2Br)n(C)n1
InChIInChI=1S/C10H14BrN5/c1-4-7-5-9(16(3)13-7)12-8-6-15(2)14-10(8)11/h5-6,12H,4H2,1-3H3
InChIKeyUMVAPFBPONBCLV-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.22
Rot. Bonds3

About N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-1-methylpyrazol-5-amine

N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-1-methylpyrazol-5-amine (PubChem CID 178129063) has the molecular formula C10H14BrN5 and a molecular weight of 284.16 g/mol. Its IUPAC name is N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-1-methylpyrazol-5-amine.

Molecular Properties

Compound NameN-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-1-methylpyrazol-5-amine
PubChem CID178129063
Molecular FormulaC10H14BrN5
Molecular Weight284.16 g/mol
Exact Mass283.04
IUPAC NameN-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-1-methylpyrazol-5-amine
SMILESCCc1cc(Nc2cn(C)nc2Br)n(C)n1
InChIInChI=1S/C10H14BrN5/c1-4-7-5-9(16(3)13-7)12-8-6-15(2)14-10(8)11/h5-6,12H,4H2,1-3H3
InChIKeyUMVAPFBPONBCLV-UHFFFAOYSA-N
XLogP2.22
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-N,1-dimethylpyrazol-5-amine
CID 178128914
carbon dioxide;N-(3-ethyl-1-methylpyrazol-5-yl)methanesulfonamide
CID 91181654
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 105078995
(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol
CID 164719599
(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride
CID 130685991
1-[(5-bromopyrazin-2-yl)methyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea
CID 126820728
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
CID 111422828
6-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 107463946
3-ethyl-5-methoxy-1-methylpyrazole
CID 165138939
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methylpyridazin-3-amine
CID 107463688
3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine
CID 115927871
3-ethyl-1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-5-amine
CID 115927876

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-1-methylpyrazol-5-amine?
The IUPAC name of N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-1-methylpyrazol-5-amine (CID 178129063) is N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-1-methylpyrazol-5-amine.
What is the SMILES notation for N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-1-methylpyrazol-5-amine?
The canonical SMILES for N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-1-methylpyrazol-5-amine is CCc1cc(Nc2cn(C)nc2Br)n(C)n1.
What is the InChIKey of N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-1-methylpyrazol-5-amine?
The InChIKey is UMVAPFBPONBCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN5/c1-4-7-5-9(16(3)13-7)12-8-6-15(2)14-10(8)11/h5-6,12H,4H2,1-3H3.
What are the key properties of N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-1-methylpyrazol-5-amine?
N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-1-methylpyrazol-5-amine has a molecular weight of 284.16 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-1-methylpyrazol-5-amine is sourced from PubChem (CID 178129063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).