(1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C21H25N5O2 — CID 70737159

IUPAC(1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCC(c3[nH]ncc3-c3cccc(OC)c3)CC2)cn1
InChIInChI=1S/C21H25N5O2/c1-3-26-14-17(12-23-26)21(27)25-9-7-15(8-10-25)20-19(13-22-24-20)16-5-4-6-18(11-16)28-2/h4-6,11-15H,3,7-10H2,1-2H3,(H,22,24)
InChIKeyDFDRWPKOAUVZOZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.32
Rot. Bonds5

About (1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

(1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 70737159) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID70737159
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name(1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCC(c3[nH]ncc3-c3cccc(OC)c3)CC2)cn1
InChIInChI=1S/C21H25N5O2/c1-3-26-14-17(12-23-26)21(27)25-9-7-15(8-10-25)20-19(13-22-24-20)16-5-4-6-18(11-16)28-2/h4-6,11-15H,3,7-10H2,1-2H3,(H,22,24)
InChIKeyDFDRWPKOAUVZOZ-UHFFFAOYSA-N
XLogP3.32
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(aminomethyl)phenyl]-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 154895013
(3-fluoro-4-pyridinyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56748447
[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 70785248
[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 56738996
N-[4-[[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 42479585
[3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone
CID 45179608
4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine
CID 56749521
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 74236610
1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 70758401
(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56752335
(1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124980360
(4-aminopiperidin-1-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 139023916

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 70737159) is (1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is CCn1cc(C(=O)N2CCC(c3[nH]ncc3-c3cccc(OC)c3)CC2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is DFDRWPKOAUVZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-3-26-14-17(12-23-26)21(27)25-9-7-15(8-10-25)20-19(13-22-24-20)16-5-4-6-18(11-16)28-2/h4-6,11-15H,3,7-10H2,1-2H3,(H,22,24).
What are the key properties of (1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
(1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70737159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).