N-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide

C19H26N4O3 — CID 55774633

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(OCC(N)=O)cc2)nn1C(C)(C)C
InChIInChI=1S/C19H26N4O3/c1-12(2)16-10-15(22-23(16)19(3,4)5)18(25)21-13-6-8-14(9-7-13)26-11-17(20)24/h6-10,12H,11H2,1-5H3,(H2,20,24)(H,21,25)
InChIKeyAISMPOLMZAODME-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.88
Rot. Bonds6

About N-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 55774633) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID55774633
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(OCC(N)=O)cc2)nn1C(C)(C)C
InChIInChI=1S/C19H26N4O3/c1-12(2)16-10-15(22-23(16)19(3,4)5)18(25)21-13-6-8-14(9-7-13)26-11-17(20)24/h6-10,12H,11H2,1-5H3,(H2,20,24)(H,21,25)
InChIKeyAISMPOLMZAODME-UHFFFAOYSA-N
XLogP2.88
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[2-(4-bromophenoxy)acetyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carbohydrazide
CID 78888874
1-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-ylpyrazole-3-carboxamide
CID 110000703
N-(2-acetamido-1,3-benzothiazol-6-yl)-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide
CID 55970236
2-[4-(propan-2-ylamino)phenoxy]acetamide
CID 43711183
2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
CID 47412803
1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 55859731
1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide
CID 56503498
N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 62045992
1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 47047172
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide
CID 60579665
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloropyridine-4-carboxamide
CID 38383627
2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid
CID 119224878

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide (CID 55774633) is N-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2ccc(OCC(N)=O)cc2)nn1C(C)(C)C.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is AISMPOLMZAODME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12(2)16-10-15(22-23(16)19(3,4)5)18(25)21-13-6-8-14(9-7-13)26-11-17(20)24/h6-10,12H,11H2,1-5H3,(H2,20,24)(H,21,25).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 55774633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).