1-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-amine

C12H22N4 — CID 115092256

IUPAC1-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-amine
SMILESCC(C)N1CCC(c2cc(N)n(C)n2)CC1
InChIInChI=1S/C12H22N4/c1-9(2)16-6-4-10(5-7-16)11-8-12(13)15(3)14-11/h8-10H,4-7,13H2,1-3H3
InChIKeyHYRZDQPZRZMKQI-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.59
Rot. Bonds2

About 1-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-amine

1-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-amine (PubChem CID 115092256) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-amine
PubChem CID115092256
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-amine
SMILESCC(C)N1CCC(c2cc(N)n(C)n2)CC1
InChIInChI=1S/C12H22N4/c1-9(2)16-6-4-10(5-7-16)11-8-12(13)15(3)14-11/h8-10H,4-7,13H2,1-3H3
InChIKeyHYRZDQPZRZMKQI-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-amine (CID 115092256) is 1-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-amine is CC(C)N1CCC(c2cc(N)n(C)n2)CC1.
What is the InChIKey of 1-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-amine?
The InChIKey is HYRZDQPZRZMKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)16-6-4-10(5-7-16)11-8-12(13)15(3)14-11/h8-10H,4-7,13H2,1-3H3.
What are the key properties of 1-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-amine?
1-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-amine has a molecular weight of 222.34 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-amine is sourced from PubChem (CID 115092256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).