5-(1-phenylpiperidin-4-yl)-1H-pyrazol-3-amine

C14H18N4 — CID 118020400

IUPAC5-(1-phenylpiperidin-4-yl)-1H-pyrazol-3-amine
SMILESNc1cc(C2CCN(c3ccccc3)CC2)[nH]n1
InChIInChI=1S/C14H18N4/c15-14-10-13(16-17-14)11-6-8-18(9-7-11)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H3,15,16,17)
InChIKeyDMUBBQPEAWVIAP-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.38
Rot. Bonds2

About 5-(1-phenylpiperidin-4-yl)-1H-pyrazol-3-amine

5-(1-phenylpiperidin-4-yl)-1H-pyrazol-3-amine (PubChem CID 118020400) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-(1-phenylpiperidin-4-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1-phenylpiperidin-4-yl)-1H-pyrazol-3-amine
PubChem CID118020400
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-(1-phenylpiperidin-4-yl)-1H-pyrazol-3-amine
SMILESNc1cc(C2CCN(c3ccccc3)CC2)[nH]n1
InChIInChI=1S/C14H18N4/c15-14-10-13(16-17-14)11-6-8-18(9-7-11)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H3,15,16,17)
InChIKeyDMUBBQPEAWVIAP-UHFFFAOYSA-N
XLogP2.38
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylpiperidin-4-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(1-phenylpiperidin-4-yl)-1H-pyrazol-3-amine (CID 118020400) is 5-(1-phenylpiperidin-4-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1-phenylpiperidin-4-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1-phenylpiperidin-4-yl)-1H-pyrazol-3-amine is Nc1cc(C2CCN(c3ccccc3)CC2)[nH]n1.
What is the InChIKey of 5-(1-phenylpiperidin-4-yl)-1H-pyrazol-3-amine?
The InChIKey is DMUBBQPEAWVIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-14-10-13(16-17-14)11-6-8-18(9-7-11)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H3,15,16,17).
What are the key properties of 5-(1-phenylpiperidin-4-yl)-1H-pyrazol-3-amine?
5-(1-phenylpiperidin-4-yl)-1H-pyrazol-3-amine has a molecular weight of 242.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylpiperidin-4-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 118020400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).