(1-amino-3-methylcyclohexyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone

C14H22BrN3O2 — CID 114669651

IUPAC(1-amino-3-methylcyclohexyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone
SMILESCOCCn1ncc(Br)c1C(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C14H22BrN3O2/c1-10-4-3-5-14(16,8-10)13(19)12-11(15)9-17-18(12)6-7-20-2/h9-10H,3-8,16H2,1-2H3
InChIKeyRBFGYWFGUUJOOB-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.38
Rot. Bonds5

About (1-amino-3-methylcyclohexyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone

(1-amino-3-methylcyclohexyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone (PubChem CID 114669651) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone
PubChem CID114669651
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name(1-amino-3-methylcyclohexyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone
SMILESCOCCn1ncc(Br)c1C(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C14H22BrN3O2/c1-10-4-3-5-14(16,8-10)13(19)12-11(15)9-17-18(12)6-7-20-2/h9-10H,3-8,16H2,1-2H3
InChIKeyRBFGYWFGUUJOOB-UHFFFAOYSA-N
XLogP2.38
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methanone
CID 114641724
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methoxycyclopentyl)methanone
CID 114642409
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methoxycyclohexyl)methanone
CID 114642722
(1-aminocyclopropyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114669526
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cycloheptylethanone
CID 115805876
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropyl-2-hydroxyethanone
CID 103455751
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropyl-2-methoxyethanone
CID 114642587
2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-one
CID 114668734
(1-aminocyclopropyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114669527
2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one
CID 114668272
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethylpropan-1-one
CID 114639308
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylcyclohexyl)methanone
CID 114640693

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone (CID 114669651) is (1-amino-3-methylcyclohexyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone is COCCn1ncc(Br)c1C(=O)C1(N)CCCC(C)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone?
The InChIKey is RBFGYWFGUUJOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-10-4-3-5-14(16,8-10)13(19)12-11(15)9-17-18(12)6-7-20-2/h9-10H,3-8,16H2,1-2H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone?
(1-amino-3-methylcyclohexyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone has a molecular weight of 344.25 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 114669651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).