N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine

C17H24N4 — CID 63637300

IUPACN-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
SMILESCCN(Cc1ccn(-c2ccccc2)n1)C1CCCNC1
InChIInChI=1S/C17H24N4/c1-2-20(17-9-6-11-18-13-17)14-15-10-12-21(19-15)16-7-4-3-5-8-16/h3-5,7-8,10,12,17-18H,2,6,9,11,13-14H2,1H3
InChIKeyZBZDIPKPZFMCEE-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.45
Rot. Bonds5

About N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine

N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine (PubChem CID 63637300) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
PubChem CID63637300
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
SMILESCCN(Cc1ccn(-c2ccccc2)n1)C1CCCNC1
InChIInChI=1S/C17H24N4/c1-2-20(17-9-6-11-18-13-17)14-15-10-12-21(19-15)16-7-4-3-5-8-16/h3-5,7-8,10,12,17-18H,2,6,9,11,13-14H2,1H3
InChIKeyZBZDIPKPZFMCEE-UHFFFAOYSA-N
XLogP2.45
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine?
The IUPAC name of N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine (CID 63637300) is N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine is CCN(Cc1ccn(-c2ccccc2)n1)C1CCCNC1.
What is the InChIKey of N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine?
The InChIKey is ZBZDIPKPZFMCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-20(17-9-6-11-18-13-17)14-15-10-12-21(19-15)16-7-4-3-5-8-16/h3-5,7-8,10,12,17-18H,2,6,9,11,13-14H2,1H3.
What are the key properties of N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine?
N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine has a molecular weight of 284.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 63637300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).