(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone

C19H24N4O — CID 95720627

IUPAC(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)cn1
InChIInChI=1S/C19H24N4O/c1-21-14-17(13-20-21)19(24)23-10-8-22(9-11-23)18-7-6-15-4-2-3-5-16(15)12-18/h2-5,13-14,18H,6-12H2,1H3/t18-/m0/s1
InChIKeyUIPCUQUVVNERCD-SFHVURJKSA-N
MW324.43 g/mol
LogP1.74
Rot. Bonds2

About (1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone

(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone (PubChem CID 95720627) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
PubChem CID95720627
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)cn1
InChIInChI=1S/C19H24N4O/c1-21-14-17(13-20-21)19(24)23-10-8-22(9-11-23)18-7-6-15-4-2-3-5-16(15)12-18/h2-5,13-14,18H,6-12H2,1H3/t18-/m0/s1
InChIKeyUIPCUQUVVNERCD-SFHVURJKSA-N
XLogP1.74
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-amino-3-pyridinyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725486
[2-(methylamino)-4-pyridinyl]-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95722811
[2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56908104
[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 95715309
(2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56913190
2H-benzotriazol-5-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56910480
(5-methyl-1H-imidazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95469001
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 56887001
(2-methyl-3H-benzimidazol-5-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709274
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 128954239
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95726043

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone (CID 95720627) is (1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone is Cn1cc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
The InChIKey is UIPCUQUVVNERCD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N4O/c1-21-14-17(13-20-21)19(24)23-10-8-22(9-11-23)18-7-6-15-4-2-3-5-16(15)12-18/h2-5,13-14,18H,6-12H2,1H3/t18-/m0/s1.
What are the key properties of (1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone has a molecular weight of 324.43 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 95720627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).