(5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C17H25N5O — CID 175652614

IUPAC(5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cn[nH]c1C1CCCCN1C(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C17H25N5O/c1-11-10-18-21-15(11)13-7-5-6-8-22(13)16(23)12-9-14(20-19-12)17(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyQBOQSNJVIPIPDJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.11
Rot. Bonds2

About (5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 175652614) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID175652614
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cn[nH]c1C1CCCCN1C(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C17H25N5O/c1-11-10-18-21-15(11)13-7-5-6-8-22(13)16(23)12-9-14(20-19-12)17(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyQBOQSNJVIPIPDJ-UHFFFAOYSA-N
XLogP3.11
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110224835
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110270767
[2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
CID 119437168
(1-methylpyrazol-3-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824417
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 127247312
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone
CID 124963028
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92552439
(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99609321
1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 127247346
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 125002274
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127247295
2-ethoxy-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 73439591

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 175652614) is (5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1cn[nH]c1C1CCCCN1C(=O)c1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of (5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is QBOQSNJVIPIPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-11-10-18-21-15(11)13-7-5-6-8-22(13)16(23)12-9-14(20-19-12)17(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of (5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 315.42 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 175652614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).