1-[amino-(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine

C14H25BrN4 — CID 114657041

IUPAC1-[amino-(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCn1ncc(Br)c1C(N)C1(N(C)C)CCCCC1
InChIInChI=1S/C14H25BrN4/c1-4-19-12(11(15)10-17-19)13(16)14(18(2)3)8-6-5-7-9-14/h10,13H,4-9,16H2,1-3H3
InChIKeyVGWLUKASKDRIEG-UHFFFAOYSA-N
MW329.29 g/mol
LogP2.93
Rot. Bonds4

About 1-[amino-(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine

1-[amino-(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 114657041) has the molecular formula C14H25BrN4 and a molecular weight of 329.29 g/mol. Its IUPAC name is 1-[amino-(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino-(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID114657041
Molecular FormulaC14H25BrN4
Molecular Weight329.29 g/mol
Exact Mass328.13
IUPAC Name1-[amino-(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCn1ncc(Br)c1C(N)C1(N(C)C)CCCCC1
InChIInChI=1S/C14H25BrN4/c1-4-19-12(11(15)10-17-19)13(16)14(18(2)3)8-6-5-7-9-14/h10,13H,4-9,16H2,1-3H3
InChIKeyVGWLUKASKDRIEG-UHFFFAOYSA-N
XLogP2.93
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 114657001
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine
CID 114662044
[(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-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]-N,N-dimethylcyclopentan-1-amine
CID 105242499
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660630
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114656935
N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine
CID 114661811
1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114656983
[(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine
CID 105217367
(4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine
CID 114655875
1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
CID 114657499

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino-(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine (CID 114657041) is 1-[amino-(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino-(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino-(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine is CCn1ncc(Br)c1C(N)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[amino-(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is VGWLUKASKDRIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4/c1-4-19-12(11(15)10-17-19)13(16)14(18(2)3)8-6-5-7-9-14/h10,13H,4-9,16H2,1-3H3.
What are the key properties of 1-[amino-(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[amino-(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 329.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 114657041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).