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

C15H26ClN5 — CID 107162069

IUPAC1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(Cc2c(Cl)c(CC)nn2CC)CC1
InChIInChI=1S/C15H26ClN5/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)
InChIKeyNKFLXYAKAXTQBB-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.66
Rot. Bonds5

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

1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide (PubChem CID 107162069) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide
PubChem CID107162069
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC Name1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(Cc2c(Cl)c(CC)nn2CC)CC1
InChIInChI=1S/C15H26ClN5/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)
InChIKeyNKFLXYAKAXTQBB-UHFFFAOYSA-N
XLogP2.66
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.66
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-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162109
1-benzyl-4-methylpiperidine-4-carboximidamide
CID 107162081
1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162140
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol
CID 81115995
1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107161957
4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
CID 107162142
1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol
CID 102959533
4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
CID 106798368
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162068
4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
CID 66036687
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115304990
1-heptyl-4-methylpiperidine-4-carboximidamide
CID 107161963

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide (CID 107162069) is 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(Cc2c(Cl)c(CC)nn2CC)CC1.
What is the InChIKey of 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide?
The InChIKey is NKFLXYAKAXTQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN5/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-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide?
1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide has a molecular weight of 311.86 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).