[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone

C25H32N6O — CID 166402671

IUPAC[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)nn1-c1ccccc1
InChIInChI=1S/C25H32N6O/c1-4-8-22-17-23(27-31(22)21-9-6-5-7-10-21)25(32)30-15-13-29(14-16-30)24-12-11-20(18-26-24)19-28(2)3/h5-7,9-12,17-18H,4,8,13-16,19H2,1-3H3
InChIKeyFHRCGQDXTMKERP-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.24
Rot. Bonds7

About [4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone

[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone (PubChem CID 166402671) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is [4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone
PubChem CID166402671
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)nn1-c1ccccc1
InChIInChI=1S/C25H32N6O/c1-4-8-22-17-23(27-31(22)21-9-6-5-7-10-21)25(32)30-15-13-29(14-16-30)24-12-11-20(18-26-24)19-28(2)3/h5-7,9-12,17-18H,4,8,13-16,19H2,1-3H3
InChIKeyFHRCGQDXTMKERP-UHFFFAOYSA-N
XLogP3.24
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone
CID 51347159
[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
CID 166235300
8-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]-5H-benzo[b][1,4]benzoxazepin-6-one
CID 166402697
(7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
CID 166402725
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
CID 166402728
2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
CID 166261507
1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 75467585
[4-(dimethylamino)-2,3-dihydrochromen-4-yl]-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
CID 166213116
1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one
CID 166228383
[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-[3-[[(4-methylpyrimidin-2-yl)amino]methyl]phenyl]methanone
CID 166207538
1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine
CID 166010057
[4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109211032

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone?
The IUPAC name of [4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone (CID 166402671) is [4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone?
The canonical SMILES for [4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone is CCCc1cc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)nn1-c1ccccc1.
What is the InChIKey of [4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone?
The InChIKey is FHRCGQDXTMKERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-4-8-22-17-23(27-31(22)21-9-6-5-7-10-21)25(32)30-15-13-29(14-16-30)24-12-11-20(18-26-24)19-28(2)3/h5-7,9-12,17-18H,4,8,13-16,19H2,1-3H3.
What are the key properties of [4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone?
[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone has a molecular weight of 432.57 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 166402671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).