1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide

C15H26BrN5 — CID 107162109

IUPAC1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(Cc2c(Br)c(CC)nn2CC)CC1
InChIInChI=1S/C15H26BrN5/c1-4-11-13(16)12(21(5-2)19-11)10-20-8-6-15(3,7-9-20)14(17)18/h4-10H2,1-3H3,(H3,17,18)
InChIKeyNHIWOCCXFLQQEN-UHFFFAOYSA-N
MW356.31 g/mol
LogP2.77
Rot. Bonds5

About 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide

1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide (PubChem CID 107162109) has the molecular formula C15H26BrN5 and a molecular weight of 356.31 g/mol. Its IUPAC name is 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide
PubChem CID107162109
Molecular FormulaC15H26BrN5
Molecular Weight356.31 g/mol
Exact Mass355.14
IUPAC Name1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(Cc2c(Br)c(CC)nn2CC)CC1
InChIInChI=1S/C15H26BrN5/c1-4-11-13(16)12(21(5-2)19-11)10-20-8-6-15(3,7-9-20)14(17)18/h4-10H2,1-3H3,(H3,17,18)
InChIKeyNHIWOCCXFLQQEN-UHFFFAOYSA-N
XLogP2.77
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162069
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile
CID 107160828
4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]morpholine-2-carboximidamide
CID 79681458
1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carbothioamide
CID 107161541
1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161822
(3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine
CID 115301850
1-benzyl-4-methylpiperidine-4-carboximidamide
CID 107162081
4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
CID 107162142
1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162140
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclooctan-1-amine
CID 80603664
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474756
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162068

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide (CID 107162109) is 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(Cc2c(Br)c(CC)nn2CC)CC1.
What is the InChIKey of 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide?
The InChIKey is NHIWOCCXFLQQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN5/c1-4-11-13(16)12(21(5-2)19-11)10-20-8-6-15(3,7-9-20)14(17)18/h4-10H2,1-3H3,(H3,17,18).
What are the key properties of 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide?
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide has a molecular weight of 356.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).