3-methyl-1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-5-amine

C16H22N4 — CID 3030387

IUPAC3-methyl-1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-5-amine
SMILESCc1nn(C2CCN(C)CC2)c(N)c1-c1ccccc1
InChIInChI=1S/C16H22N4/c1-12-15(13-6-4-3-5-7-13)16(17)20(18-12)14-8-10-19(2)11-9-14/h3-7,14H,8-11,17H2,1-2H3
InChIKeyMZZPNXAZFQPVOJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.71
Rot. Bonds2

About 3-methyl-1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-5-amine

3-methyl-1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-5-amine (PubChem CID 3030387) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-methyl-1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-5-amine
PubChem CID3030387
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-methyl-1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-5-amine
SMILESCc1nn(C2CCN(C)CC2)c(N)c1-c1ccccc1
InChIInChI=1S/C16H22N4/c1-12-15(13-6-4-3-5-7-13)16(17)20(18-12)14-8-10-19(2)11-9-14/h3-7,14H,8-11,17H2,1-2H3
InChIKeyMZZPNXAZFQPVOJ-UHFFFAOYSA-N
XLogP2.71
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-5-amine?
The IUPAC name of 3-methyl-1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-5-amine (CID 3030387) is 3-methyl-1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-5-amine.
What is the SMILES notation for 3-methyl-1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-5-amine?
The canonical SMILES for 3-methyl-1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-5-amine is Cc1nn(C2CCN(C)CC2)c(N)c1-c1ccccc1.
What is the InChIKey of 3-methyl-1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-5-amine?
The InChIKey is MZZPNXAZFQPVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-15(13-6-4-3-5-7-13)16(17)20(18-12)14-8-10-19(2)11-9-14/h3-7,14H,8-11,17H2,1-2H3.
What are the key properties of 3-methyl-1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-5-amine?
3-methyl-1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-5-amine has a molecular weight of 270.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-5-amine is sourced from PubChem (CID 3030387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).