(5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone

C18H24N4O — CID 110853153

IUPAC(5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCN(c3ccccc3)CC2)n[nH]1
InChIInChI=1S/C18H24N4O/c1-18(2,3)16-13-15(19-20-16)17(23)22-11-9-21(10-12-22)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,19,20)
InChIKeyDIHCBOJHQXRTBG-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.67
Rot. Bonds2

About (5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone

(5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 110853153) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID110853153
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCN(c3ccccc3)CC2)n[nH]1
InChIInChI=1S/C18H24N4O/c1-18(2,3)16-13-15(19-20-16)17(23)22-11-9-21(10-12-22)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,19,20)
InChIKeyDIHCBOJHQXRTBG-UHFFFAOYSA-N
XLogP2.67
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-tert-butyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854273
(5-tert-butyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110848778
4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 86994233
1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251846
(5-tert-butyl-1H-pyrazol-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 166216883
1-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 86821006
2-(5-tert-butyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212960
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 119580078
[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
CID 92552418
5-tert-butyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide
CID 78887587
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124992900
[(2S)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 125164187

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone (CID 110853153) is (5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone is CC(C)(C)c1cc(C(=O)N2CCN(c3ccccc3)CC2)n[nH]1.
What is the InChIKey of (5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is DIHCBOJHQXRTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-18(2,3)16-13-15(19-20-16)17(23)22-11-9-21(10-12-22)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,19,20).
What are the key properties of (5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
(5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 312.42 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 110853153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).