5-[1-(4-ethoxyphenyl)piperidin-4-yl]-1H-pyrazol-3-amine

C16H22N4O — CID 118020528

IUPAC5-[1-(4-ethoxyphenyl)piperidin-4-yl]-1H-pyrazol-3-amine
SMILESCCOc1ccc(N2CCC(c3cc(N)n[nH]3)CC2)cc1
InChIInChI=1S/C16H22N4O/c1-2-21-14-5-3-13(4-6-14)20-9-7-12(8-10-20)15-11-16(17)19-18-15/h3-6,11-12H,2,7-10H2,1H3,(H3,17,18,19)
InChIKeyLIVSEVBWTNWGMT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.77
Rot. Bonds4

About 5-[1-(4-ethoxyphenyl)piperidin-4-yl]-1H-pyrazol-3-amine

5-[1-(4-ethoxyphenyl)piperidin-4-yl]-1H-pyrazol-3-amine (PubChem CID 118020528) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[1-(4-ethoxyphenyl)piperidin-4-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[1-(4-ethoxyphenyl)piperidin-4-yl]-1H-pyrazol-3-amine
PubChem CID118020528
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-[1-(4-ethoxyphenyl)piperidin-4-yl]-1H-pyrazol-3-amine
SMILESCCOc1ccc(N2CCC(c3cc(N)n[nH]3)CC2)cc1
InChIInChI=1S/C16H22N4O/c1-2-21-14-5-3-13(4-6-14)20-9-7-12(8-10-20)15-11-16(17)19-18-15/h3-6,11-12H,2,7-10H2,1H3,(H3,17,18,19)
InChIKeyLIVSEVBWTNWGMT-UHFFFAOYSA-N
XLogP2.77
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)thiourea
CID 935266
N-(4-ethoxyphenyl)-N'-(3-phenyl-1H-pyrazol-5-yl)thiourea
CID 935066
4-[4-(3-morpholin-4-yl-1H-pyrazol-5-yl)phenoxy]aniline
CID 23656796
1-(2-ethoxyphenyl)-4-[(3-methyl-1H-pyrazol-5-yl)methyl]piperazine
CID 53193261
N-(4-butoxyphenyl)-4-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)piperazine-1-carboxamide
CID 91629055
2-{[5-(4-Ethoxyphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-6-YL]sulfanyl}-1-(4-methylpiperidin-1-YL)ethan-1-one
CID 135471695
1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine
CID 29105712
5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-2-(difluoromethoxy)benzonitrile
CID 118020285
3-{1-[4-(difluoromethoxy)phenyl]piperidin-4-yl}-1H-pyrazol-5-amine
CID 118020299
5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-2-(trifluoromethoxy)benzonitrile
CID 118020584
5-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyrazol-3-amine
CID 118020588
5-[(3R,4R)-1-[4-(difluoromethoxy)phenyl]-3-methylpiperidin-4-yl]-1H-pyrazol-3-amine
CID 118147738

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-ethoxyphenyl)piperidin-4-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[1-(4-ethoxyphenyl)piperidin-4-yl]-1H-pyrazol-3-amine (CID 118020528) is 5-[1-(4-ethoxyphenyl)piperidin-4-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[1-(4-ethoxyphenyl)piperidin-4-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[1-(4-ethoxyphenyl)piperidin-4-yl]-1H-pyrazol-3-amine is CCOc1ccc(N2CCC(c3cc(N)n[nH]3)CC2)cc1.
What is the InChIKey of 5-[1-(4-ethoxyphenyl)piperidin-4-yl]-1H-pyrazol-3-amine?
The InChIKey is LIVSEVBWTNWGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-21-14-5-3-13(4-6-14)20-9-7-12(8-10-20)15-11-16(17)19-18-15/h3-6,11-12H,2,7-10H2,1H3,(H3,17,18,19).
What are the key properties of 5-[1-(4-ethoxyphenyl)piperidin-4-yl]-1H-pyrazol-3-amine?
5-[1-(4-ethoxyphenyl)piperidin-4-yl]-1H-pyrazol-3-amine has a molecular weight of 286.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-ethoxyphenyl)piperidin-4-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 118020528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).