(1,3-diphenylpyrazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride

C26H31ClN4O — CID 154919465

IUPAC(1,3-diphenylpyrazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C26H30N4O.ClH/c31-26(29-17-13-21(14-18-29)20-11-15-27-16-12-20)25-19-24(22-7-3-1-4-8-22)28-30(25)23-9-5-2-6-10-23;/h1-10,19-21,27H,11-18H2;1H
InChIKeyPTRLVHHSCALEHY-UHFFFAOYSA-N
MW451.01 g/mol
LogP4.81
Rot. Bonds4

About (1,3-diphenylpyrazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride

(1,3-diphenylpyrazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 154919465) has the molecular formula C26H31ClN4O and a molecular weight of 451.01 g/mol. Its IUPAC name is (1,3-diphenylpyrazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(1,3-diphenylpyrazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
PubChem CID154919465
Molecular FormulaC26H31ClN4O
Molecular Weight451.01 g/mol
Exact Mass450.22
IUPAC Name(1,3-diphenylpyrazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C26H30N4O.ClH/c31-26(29-17-13-21(14-18-29)20-11-15-27-16-12-20)25-19-24(22-7-3-1-4-8-22)28-30(25)23-9-5-2-6-10-23;/h1-10,19-21,27H,11-18H2;1H
InChIKeyPTRLVHHSCALEHY-UHFFFAOYSA-N
XLogP4.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.01
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119561078
[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 811995
1,4-diazepan-1-yl-[3-(furan-2-yl)-1-phenylpyrazol-5-yl]methanone;hydrochloride
CID 119414159
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812015
ethyl 1-[3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidine-4-carboxylate
CID 5145752
(4-hydroxypiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 9245712
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]methanone
CID 7283540
[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3434426
(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 9437858
[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3341823
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559789
[3-(5-methylfuran-2-yl)-1-phenylpyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 812317

Frequently Asked Questions

What is the IUPAC name of (1,3-diphenylpyrazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (1,3-diphenylpyrazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride (CID 154919465) is (1,3-diphenylpyrazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (1,3-diphenylpyrazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (1,3-diphenylpyrazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride is Cl.O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCC(C2CCNCC2)CC1.
What is the InChIKey of (1,3-diphenylpyrazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is PTRLVHHSCALEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O.ClH/c31-26(29-17-13-21(14-18-29)20-11-15-27-16-12-20)25-19-24(22-7-3-1-4-8-22)28-30(25)23-9-5-2-6-10-23;/h1-10,19-21,27H,11-18H2;1H.
What are the key properties of (1,3-diphenylpyrazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride?
(1,3-diphenylpyrazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 451.01 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpyrazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 154919465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).