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

C12H22N4 — CID 123761196

IUPACN-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-amine
SMILESCNc1cnn(C2CCN(C(C)C)CC2)c1
InChIInChI=1S/C12H22N4/c1-10(2)15-6-4-12(5-7-15)16-9-11(13-3)8-14-16/h8-10,12-13H,4-7H2,1-3H3
InChIKeyOYVFYFFEKHPVPQ-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.97
Rot. Bonds3

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

N-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-amine (PubChem CID 123761196) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-amine.

Molecular Properties

Compound NameN-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-amine
PubChem CID123761196
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-amine
SMILESCNc1cnn(C2CCN(C(C)C)CC2)c1
InChIInChI=1S/C12H22N4/c1-10(2)15-6-4-12(5-7-15)16-9-11(13-3)8-14-16/h8-10,12-13H,4-7H2,1-3H3
InChIKeyOYVFYFFEKHPVPQ-UHFFFAOYSA-N
XLogP1.97
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-amine?
The IUPAC name of N-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-amine (CID 123761196) is N-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-amine.
What is the SMILES notation for N-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-amine?
The canonical SMILES for N-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-amine is CNc1cnn(C2CCN(C(C)C)CC2)c1.
What is the InChIKey of N-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-amine?
The InChIKey is OYVFYFFEKHPVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)15-6-4-12(5-7-15)16-9-11(13-3)8-14-16/h8-10,12-13H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-amine?
N-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-amine has a molecular weight of 222.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-amine is sourced from PubChem (CID 123761196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).