1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine

C17H24N4 — CID 63256045

IUPAC1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-14(18)17-9-5-6-11-20(17)13-15-10-12-21(19-15)16-7-3-2-4-8-16/h2-4,7-8,10,12,14,17H,5-6,9,11,13,18H2,1H3
InChIKeyOJQUYUPNZBBCID-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.57
Rot. Bonds4

About 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine

1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine (PubChem CID 63256045) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine
PubChem CID63256045
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-14(18)17-9-5-6-11-20(17)13-15-10-12-21(19-15)16-7-3-2-4-8-16/h2-4,7-8,10,12,14,17H,5-6,9,11,13,18H2,1H3
InChIKeyOJQUYUPNZBBCID-UHFFFAOYSA-N
XLogP2.57
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]ethanamine
CID 120980251
1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63595893
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine
CID 119911607
(2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119913872
1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115966906
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine
CID 63255849
[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 62885174
[2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119436418
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole
CID 47084712
2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine
CID 69311321

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine (CID 63256045) is 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine is CC(N)C1CCCCN1Cc1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is OJQUYUPNZBBCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14(18)17-9-5-6-11-20(17)13-15-10-12-21(19-15)16-7-3-2-4-8-16/h2-4,7-8,10,12,14,17H,5-6,9,11,13,18H2,1H3.
What are the key properties of 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 284.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63256045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).