(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone

C19H25FN4O — CID 120735677

IUPAC(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCNCC2c2cccc(F)c2)cnn1C(C)(C)C
InChIInChI=1S/C19H25FN4O/c1-13-16(11-22-24(13)19(2,3)4)18(25)23-9-8-21-12-17(23)14-6-5-7-15(20)10-14/h5-7,10-11,17,21H,8-9,12H2,1-4H3
InChIKeyMBTBRMUJNOKIKG-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.87
Rot. Bonds2

About (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone

(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 120735677) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
PubChem CID120735677
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCNCC2c2cccc(F)c2)cnn1C(C)(C)C
InChIInChI=1S/C19H25FN4O/c1-13-16(11-22-24(13)19(2,3)4)18(25)23-9-8-21-12-17(23)14-6-5-7-15(20)10-14/h5-7,10-11,17,21H,8-9,12H2,1-4H3
InChIKeyMBTBRMUJNOKIKG-UHFFFAOYSA-N
XLogP2.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride
CID 120736309
(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732907
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
(1,5-dimethyltriazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737933
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 120736320
(3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737581
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735632
1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 120736848
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
[2-(3-fluorophenyl)piperazin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120736163
(2,5-dimethylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736000

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone (CID 120735677) is (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone is Cc1c(C(=O)N2CCNCC2c2cccc(F)c2)cnn1C(C)(C)C.
What is the InChIKey of (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is MBTBRMUJNOKIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-13-16(11-22-24(13)19(2,3)4)18(25)23-9-8-21-12-17(23)14-6-5-7-15(20)10-14/h5-7,10-11,17,21H,8-9,12H2,1-4H3.
What are the key properties of (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 344.43 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120735677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).