[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine

C14H25BrN4 — CID 103441749

IUPAC[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine
SMILESCCn1nc(C)c(Br)c1CN1CCC(C)CC1CN
InChIInChI=1S/C14H25BrN4/c1-4-19-13(14(15)11(3)17-19)9-18-6-5-10(2)7-12(18)8-16/h10,12H,4-9,16H2,1-3H3
InChIKeyNSIWHIOKOLURLB-UHFFFAOYSA-N
MW329.29 g/mol
LogP2.53
Rot. Bonds4

About [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine

[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine (PubChem CID 103441749) has the molecular formula C14H25BrN4 and a molecular weight of 329.29 g/mol. Its IUPAC name is [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine
PubChem CID103441749
Molecular FormulaC14H25BrN4
Molecular Weight329.29 g/mol
Exact Mass328.13
IUPAC Name[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine
SMILESCCn1nc(C)c(Br)c1CN1CCC(C)CC1CN
InChIInChI=1S/C14H25BrN4/c1-4-19-13(14(15)11(3)17-19)9-18-6-5-10(2)7-12(18)8-16/h10,12H,4-9,16H2,1-3H3
InChIKeyNSIWHIOKOLURLB-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine
CID 83062124
[(2S,4R)-4-methyl-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]piperidin-2-yl]methanamine
CID 154807738
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943445
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211634
[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
CID 81011005
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 114082448
[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440793
[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 19623284
N-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83102031
1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-2-yl]ethanamine
CID 115315705
[1-[(3,5-dibromo-2-pyridinyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440485
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine
CID 82701961

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine (CID 103441749) is [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine is CCn1nc(C)c(Br)c1CN1CCC(C)CC1CN.
What is the InChIKey of [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine?
The InChIKey is NSIWHIOKOLURLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4/c1-4-19-13(14(15)11(3)17-19)9-18-6-5-10(2)7-12(18)8-16/h10,12H,4-9,16H2,1-3H3.
What are the key properties of [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine?
[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine has a molecular weight of 329.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103441749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).