N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide

C25H33N7O3 — CID 30666033

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(CC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)CC2)no1
InChIInChI=1S/C25H33N7O3/c1-18-14-21(29-35-18)26-23(33)16-30-10-12-31(13-11-30)17-24(34)27-22-15-20(25(2,3)4)28-32(22)19-8-6-5-7-9-19/h5-9,14-15H,10-13,16-17H2,1-4H3,(H,27,34)(H,26,29,33)
InChIKeyCBQSETUMVYLHPR-UHFFFAOYSA-N
MW479.59 g/mol
LogP2.66
Rot. Bonds7

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 30666033) has the molecular formula C25H33N7O3 and a molecular weight of 479.59 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID30666033
Molecular FormulaC25H33N7O3
Molecular Weight479.59 g/mol
Exact Mass479.26
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(CC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)CC2)no1
InChIInChI=1S/C25H33N7O3/c1-18-14-21(29-35-18)26-23(33)16-30-10-12-31(13-11-30)17-24(34)27-22-15-20(25(2,3)4)28-32(22)19-8-6-5-7-9-19/h5-9,14-15H,10-13,16-17H2,1-4H3,(H,27,34)(H,26,29,33)
InChIKeyCBQSETUMVYLHPR-UHFFFAOYSA-N
XLogP2.66
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 27994543
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 124742746
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 9450248
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide
CID 4259022
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2530022
3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide
CID 119293994
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 38852167
N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-2-(methylamino)acetamide
CID 119733627
N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30663123
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide
CID 97214073
2-(4-benzylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8904460

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide (CID 30666033) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCN(CC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)CC2)no1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is CBQSETUMVYLHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O3/c1-18-14-21(29-35-18)26-23(33)16-30-10-12-31(13-11-30)17-24(34)27-22-15-20(25(2,3)4)28-32(22)19-8-6-5-7-9-19/h5-9,14-15H,10-13,16-17H2,1-4H3,(H,27,34)(H,26,29,33).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 479.59 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30666033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).