(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C19H27N5O — CID 56814101

IUPAC(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1nn(C(C)(C)C)c(C)c1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H27N5O/c1-14-17(15(2)24(21-14)19(3,4)5)18(25)23-12-10-22(11-13-23)16-8-6-7-9-20-16/h6-9H,10-13H2,1-5H3
InChIKeyWZBPMAPWUSFXIH-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.61
Rot. Bonds2

About (1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 56814101) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID56814101
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1nn(C(C)(C)C)c(C)c1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H27N5O/c1-14-17(15(2)24(21-14)19(3,4)5)18(25)23-12-10-22(11-13-23)16-8-6-7-9-20-16/h6-9H,10-13H2,1-5H3
InChIKeyWZBPMAPWUSFXIH-UHFFFAOYSA-N
XLogP2.61
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56814034
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 60593051
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 18282347
(1,5-dimethylpyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 44757097
(5-amino-1-methylpyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 82188777
(4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854807
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 51260305
(2S)-2-amino-3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 61148077
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
(3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 112768640
(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 71700603
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 56814101) is (1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1nn(C(C)(C)C)c(C)c1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is WZBPMAPWUSFXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14-17(15(2)24(21-14)19(3,4)5)18(25)23-12-10-22(11-13-23)16-8-6-7-9-20-16/h6-9H,10-13H2,1-5H3.
What are the key properties of (1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 341.46 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 56814101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).