(4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine

C14H24BrN3O2 — CID 114661903

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine
SMILESCCCn1ncc(Br)c1C(N)C1(OCC)CCOCC1
InChIInChI=1S/C14H24BrN3O2/c1-3-7-18-12(11(15)10-17-18)13(16)14(20-4-2)5-8-19-9-6-14/h10,13H,3-9,16H2,1-2H3
InChIKeyYZWFLZJDTRPWCO-UHFFFAOYSA-N
MW346.27 g/mol
LogP2.64
Rot. Bonds6

About (4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine

(4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine (PubChem CID 114661903) has the molecular formula C14H24BrN3O2 and a molecular weight of 346.27 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine
PubChem CID114661903
Molecular FormulaC14H24BrN3O2
Molecular Weight346.27 g/mol
Exact Mass345.11
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine
SMILESCCCn1ncc(Br)c1C(N)C1(OCC)CCOCC1
InChIInChI=1S/C14H24BrN3O2/c1-3-7-18-12(11(15)10-17-18)13(16)14(20-4-2)5-8-19-9-6-14/h10,13H,3-9,16H2,1-2H3
InChIKeyYZWFLZJDTRPWCO-UHFFFAOYSA-N
XLogP2.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660630
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine
CID 114662044
(4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661747
(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol
CID 114645869
(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 114645893
1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 114656867
[(4-methoxyoxan-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105276584
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol
CID 114645921
4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine
CID 114664574
[(4-bromo-1-ethylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276358
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylcyclopentyl)methanamine
CID 105043022
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methylpropyl]hydrazine
CID 105199703

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine (CID 114661903) is (4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine is CCCn1ncc(Br)c1C(N)C1(OCC)CCOCC1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine?
The InChIKey is YZWFLZJDTRPWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O2/c1-3-7-18-12(11(15)10-17-18)13(16)14(20-4-2)5-8-19-9-6-14/h10,13H,3-9,16H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine?
(4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine has a molecular weight of 346.27 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine is sourced from PubChem (CID 114661903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).