1-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-amine

C16H22N4O — CID 114697742

IUPAC1-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-amine
SMILESCCOc1ccccc1-c1cc(N2CCC(N)CC2)n[nH]1
InChIInChI=1S/C16H22N4O/c1-2-21-15-6-4-3-5-13(15)14-11-16(19-18-14)20-9-7-12(17)8-10-20/h3-6,11-12H,2,7-10,17H2,1H3,(H,18,19)
InChIKeyRIOVARUUPLIVCC-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.40
Rot. Bonds4

About 1-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-amine

1-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-amine (PubChem CID 114697742) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-amine
PubChem CID114697742
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-amine
SMILESCCOc1ccccc1-c1cc(N2CCC(N)CC2)n[nH]1
InChIInChI=1S/C16H22N4O/c1-2-21-15-6-4-3-5-13(15)14-11-16(19-18-14)20-9-7-12(17)8-10-20/h3-6,11-12H,2,7-10,17H2,1H3,(H,18,19)
InChIKeyRIOVARUUPLIVCC-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine
CID 82191850
2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528472
1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
CID 56771527
3-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]aniline
CID 54852298
1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine
CID 56771532
1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidin-4-amine
CID 66332707
1-[1-(2-ethoxyphenyl)ethyl]piperidin-4-amine
CID 43130865
1-(4-ethoxy-3-methylphenyl)piperidin-4-amine
CID 63214437
3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile
CID 114697653
1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-amine
CID 91811818
1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
CID 114697676
2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide
CID 75528428

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-amine?
The IUPAC name of 1-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-amine (CID 114697742) is 1-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-amine is CCOc1ccccc1-c1cc(N2CCC(N)CC2)n[nH]1.
What is the InChIKey of 1-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-amine?
The InChIKey is RIOVARUUPLIVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-21-15-6-4-3-5-13(15)14-11-16(19-18-14)20-9-7-12(17)8-10-20/h3-6,11-12H,2,7-10,17H2,1H3,(H,18,19).
What are the key properties of 1-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-amine?
1-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-amine is sourced from PubChem (CID 114697742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).