1-methyl-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid

C17H24N4O2 — CID 89482799

IUPAC1-methyl-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid
SMILESCn1nc(C2CCCCN2)cc1N.O=C(O)Cc1ccccc1
InChIInChI=1S/C9H16N4.C8H8O2/c1-13-9(10)6-8(12-13)7-4-2-3-5-11-7;9-8(10)6-7-4-2-1-3-5-7/h6-7,11H,2-5,10H2,1H3;1-5H,6H2,(H,9,10)
InChIKeyQLACKBPRIRVPPU-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.13
Rot. Bonds3

About 1-methyl-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid

1-methyl-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid (PubChem CID 89482799) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-methyl-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid.

Molecular Properties

Compound Name1-methyl-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid
PubChem CID89482799
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-methyl-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid
SMILESCn1nc(C2CCCCN2)cc1N.O=C(O)Cc1ccccc1
InChIInChI=1S/C9H16N4.C8H8O2/c1-13-9(10)6-8(12-13)7-4-2-3-5-11-7;9-8(10)6-7-4-2-1-3-5-7/h6-7,11H,2-5,10H2,1H3;1-5H,6H2,(H,9,10)
InChIKeyQLACKBPRIRVPPU-UHFFFAOYSA-N
XLogP2.13
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid?
The IUPAC name of 1-methyl-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid (CID 89482799) is 1-methyl-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid.
What is the SMILES notation for 1-methyl-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid?
The canonical SMILES for 1-methyl-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid is Cn1nc(C2CCCCN2)cc1N.O=C(O)Cc1ccccc1.
What is the InChIKey of 1-methyl-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid?
The InChIKey is QLACKBPRIRVPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4.C8H8O2/c1-13-9(10)6-8(12-13)7-4-2-3-5-11-7;9-8(10)6-7-4-2-1-3-5-7/h6-7,11H,2-5,10H2,1H3;1-5H,6H2,(H,9,10).
What are the key properties of 1-methyl-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid?
1-methyl-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid has a molecular weight of 316.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid is sourced from PubChem (CID 89482799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).