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

C13H22BrN3O — CID 114660630

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
SMILESCCCn1ncc(Br)c1C(N)C1(OC)CCCC1
InChIInChI=1S/C13H22BrN3O/c1-3-8-17-11(10(14)9-16-17)12(15)13(18-2)6-4-5-7-13/h9,12H,3-8,15H2,1-2H3
InChIKeyKEUUTINRWUUAJR-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.01
Rot. Bonds5

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

(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine (PubChem CID 114660630) has the molecular formula C13H22BrN3O and a molecular weight of 316.24 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
PubChem CID114660630
Molecular FormulaC13H22BrN3O
Molecular Weight316.24 g/mol
Exact Mass315.09
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
SMILESCCCn1ncc(Br)c1C(N)C1(OC)CCCC1
InChIInChI=1S/C13H22BrN3O/c1-3-8-17-11(10(14)9-16-17)12(15)13(18-2)6-4-5-7-13/h9,12H,3-8,15H2,1-2H3
InChIKeyKEUUTINRWUUAJR-UHFFFAOYSA-N
XLogP3.01
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine
CID 114662044
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol
CID 114645921
(4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine
CID 114661903
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine
CID 114661786
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylcyclopentyl)methanamine
CID 105043022
(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 114662026
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660625
(4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661747
(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine
CID 114661932
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methoxycycloheptyl)methanol
CID 114645923
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1-methoxycyclopentyl)methanol
CID 114645500
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1-methoxycyclohexyl)methanol
CID 114645797

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine (CID 114660630) is (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine is CCCn1ncc(Br)c1C(N)C1(OC)CCCC1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine?
The InChIKey is KEUUTINRWUUAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O/c1-3-8-17-11(10(14)9-16-17)12(15)13(18-2)6-4-5-7-13/h9,12H,3-8,15H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine?
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine has a molecular weight of 316.24 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine is sourced from PubChem (CID 114660630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).