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

C15H26BrN3O — CID 114662044

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine
SMILESCCCn1ncc(Br)c1C(N)C1(OC)CCCCCC1
InChIInChI=1S/C15H26BrN3O/c1-3-10-19-13(12(16)11-18-19)14(17)15(20-2)8-6-4-5-7-9-15/h11,14H,3-10,17H2,1-2H3
InChIKeyJFWKHZZKXODRMQ-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.79
Rot. Bonds5

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

(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine (PubChem CID 114662044) has the molecular formula C15H26BrN3O and a molecular weight of 344.30 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine
PubChem CID114662044
Molecular FormulaC15H26BrN3O
Molecular Weight344.30 g/mol
Exact Mass343.13
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine
SMILESCCCn1ncc(Br)c1C(N)C1(OC)CCCCCC1
InChIInChI=1S/C15H26BrN3O/c1-3-10-19-13(12(16)11-18-19)14(17)15(20-2)8-6-4-5-7-9-15/h11,14H,3-10,17H2,1-2H3
InChIKeyJFWKHZZKXODRMQ-UHFFFAOYSA-N
XLogP3.79
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)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-methoxycycloheptyl)methanol
CID 114645923
(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 114662026
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylcyclopentyl)methanamine
CID 105043022
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1-methoxycyclohexyl)methanol
CID 114645797
(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-(dimethylamino)ethyl]pyrazol-5-yl]-(1-methoxycyclopentyl)methanol
CID 114645500

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine (CID 114662044) is (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine is CCCn1ncc(Br)c1C(N)C1(OC)CCCCCC1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine?
The InChIKey is JFWKHZZKXODRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O/c1-3-10-19-13(12(16)11-18-19)14(17)15(20-2)8-6-4-5-7-9-15/h11,14H,3-10,17H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine?
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine has a molecular weight of 344.30 g/mol, XLogP of 3.79, 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-methoxycycloheptyl)methanamine is sourced from PubChem (CID 114662044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).