[1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine

C12H22N4 — CID 43122238

IUPAC[1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine
SMILESCc1nn(C)c(N2CCCC(C)C2)c1CN
InChIInChI=1S/C12H22N4/c1-9-5-4-6-16(8-9)12-11(7-13)10(2)14-15(12)3/h9H,4-8,13H2,1-3H3
InChIKeyUHZKZHHGEIYPGM-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.42
Rot. Bonds2

About [1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine

[1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine (PubChem CID 43122238) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine
PubChem CID43122238
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine
SMILESCc1nn(C)c(N2CCCC(C)C2)c1CN
InChIInChI=1S/C12H22N4/c1-9-5-4-6-16(8-9)12-11(7-13)10(2)14-15(12)3/h9H,4-8,13H2,1-3H3
InChIKeyUHZKZHHGEIYPGM-UHFFFAOYSA-N
XLogP1.42
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol
CID 43590482
4-(bromomethyl)-1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazole
CID 107080851
[5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 43122234
[5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 65283757
N-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 61226605
[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine
CID 66392435
[5-(2-ethylpyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 60974475
[1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine
CID 63171037
1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide
CID 63752202
1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine
CID 63795740
1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-amine
CID 61225576
[5-(8-azaspiro[4.5]decan-8-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 55225901

Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine?
The IUPAC name of [1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine (CID 43122238) is [1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine is Cc1nn(C)c(N2CCCC(C)C2)c1CN.
What is the InChIKey of [1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine?
The InChIKey is UHZKZHHGEIYPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9-5-4-6-16(8-9)12-11(7-13)10(2)14-15(12)3/h9H,4-8,13H2,1-3H3.
What are the key properties of [1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine?
[1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 43122238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).