[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine

C13H23ClN4 — CID 114961330

IUPAC[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine
SMILESCc1nn(C)c(Cl)c1CN1CCC(C)C(CN)C1
InChIInChI=1S/C13H23ClN4/c1-9-4-5-18(7-11(9)6-15)8-12-10(2)16-17(3)13(12)14/h9,11H,4-8,15H2,1-3H3
InChIKeyAPBYGDKPCXAMKJ-UHFFFAOYSA-N
MW270.81 g/mol
LogP1.80
Rot. Bonds3

About [1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine

[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine (PubChem CID 114961330) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is [1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine
PubChem CID114961330
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC Name[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine
SMILESCc1nn(C)c(Cl)c1CN1CCC(C)C(CN)C1
InChIInChI=1S/C13H23ClN4/c1-9-4-5-18(7-11(9)6-15)8-12-10(2)16-17(3)13(12)14/h9,11H,4-8,15H2,1-3H3
InChIKeyAPBYGDKPCXAMKJ-UHFFFAOYSA-N
XLogP1.80
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
CID 61224422
4-chloro-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine
CID 114682232
5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 115688533
[4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine
CID 114961207
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 54920320
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961231
[4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 114961447
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine
CID 63609341
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine
CID 55157463
2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 62356478
(3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide
CID 128982989
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine
CID 114592925

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine (CID 114961330) is [1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine is Cc1nn(C)c(Cl)c1CN1CCC(C)C(CN)C1.
What is the InChIKey of [1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine?
The InChIKey is APBYGDKPCXAMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-9-4-5-18(7-11(9)6-15)8-12-10(2)16-17(3)13(12)14/h9,11H,4-8,15H2,1-3H3.
What are the key properties of [1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine?
[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine has a molecular weight of 270.81 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114961330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).