(1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone

C21H28N4O — CID 95709451

IUPAC(1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
SMILESCCn1nc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)cc1C
InChIInChI=1S/C21H28N4O/c1-3-25-16(2)14-20(22-25)21(26)24-12-10-23(11-13-24)19-9-8-17-6-4-5-7-18(17)15-19/h4-7,14,19H,3,8-13,15H2,1-2H3/t19-/m0/s1
InChIKeyDDUKIAJIVPOVHX-IBGZPJMESA-N
MW352.48 g/mol
LogP2.53
Rot. Bonds3

About (1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone

(1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone (PubChem CID 95709451) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is (1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
PubChem CID95709451
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name(1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
SMILESCCn1nc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)cc1C
InChIInChI=1S/C21H28N4O/c1-3-25-16(2)14-20(22-25)21(26)24-12-10-23(11-13-24)19-9-8-17-6-4-5-7-18(17)15-19/h4-7,14,19H,3,8-13,15H2,1-2H3/t19-/m0/s1
InChIKeyDDUKIAJIVPOVHX-IBGZPJMESA-N
XLogP2.53
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56913190
(8-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709770
(1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 42656730
[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95718041
[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56904168
(5-methyl-1H-imidazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95469001
(2-methyl-3H-benzimidazol-5-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709274
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
(2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95708503
2H-benzotriazol-5-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56910480
(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95720627
1-(1-ethyl-5-methylpyrazole-3-carbonyl)piperidine-4-carboxamide
CID 110681708

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone (CID 95709451) is (1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone is CCn1nc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)cc1C.
What is the InChIKey of (1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
The InChIKey is DDUKIAJIVPOVHX-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N4O/c1-3-25-16(2)14-20(22-25)21(26)24-12-10-23(11-13-24)19-9-8-17-6-4-5-7-18(17)15-19/h4-7,14,19H,3,8-13,15H2,1-2H3/t19-/m0/s1.
What are the key properties of (1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
(1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone has a molecular weight of 352.48 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 95709451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).