(4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine

C10H16BrN3 — CID 114655875

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine
SMILESCCn1ncc(Br)c1C(N)C1CC1C
InChIInChI=1S/C10H16BrN3/c1-3-14-10(8(11)5-13-14)9(12)7-4-6(7)2/h5-7,9H,3-4,12H2,1-2H3
InChIKeySTDYILYIBWNBSP-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.32
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine

(4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine (PubChem CID 114655875) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine
PubChem CID114655875
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine
SMILESCCn1ncc(Br)c1C(N)C1CC1C
InChIInChI=1S/C10H16BrN3/c1-3-14-10(8(11)5-13-14)9(12)7-4-6(7)2/h5-7,9H,3-4,12H2,1-2H3
InChIKeySTDYILYIBWNBSP-UHFFFAOYSA-N
XLogP2.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine
CID 105040053
2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 107190968
1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
CID 114657499
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716
1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine
CID 114653621
(4-bromo-1-ethylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105039998
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
CID 107977457
(4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine
CID 105182914
(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 114655766
2-bicyclo[2.2.1]heptanyl-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114645446
[(4-bromo-1-ethylpyrazol-5-yl)-cyclopentylmethyl]hydrazine
CID 105204420
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine
CID 114646680

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine (CID 114655875) is (4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine is CCn1ncc(Br)c1C(N)C1CC1C.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine?
The InChIKey is STDYILYIBWNBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-3-14-10(8(11)5-13-14)9(12)7-4-6(7)2/h5-7,9H,3-4,12H2,1-2H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine?
(4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine has a molecular weight of 258.16 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 114655875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).