N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-tert-butyl-3,5-dimethylpyrazole-4-carboxamide

C19H26N4O3 — CID 71888890

IUPACN-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-tert-butyl-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1cc(OCC(N)=O)ccc1NC(=O)c1c(C)nn(C(C)(C)C)c1C
InChIInChI=1S/C19H26N4O3/c1-11-9-14(26-10-16(20)24)7-8-15(11)21-18(25)17-12(2)22-23(13(17)3)19(4,5)6/h7-9H,10H2,1-6H3,(H2,20,24)(H,21,25)
InChIKeyRZXWIHKEACPBNC-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.68
Rot. Bonds5

About N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-tert-butyl-3,5-dimethylpyrazole-4-carboxamide

N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-tert-butyl-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 71888890) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-tert-butyl-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-tert-butyl-3,5-dimethylpyrazole-4-carboxamide
PubChem CID71888890
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-tert-butyl-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1cc(OCC(N)=O)ccc1NC(=O)c1c(C)nn(C(C)(C)C)c1C
InChIInChI=1S/C19H26N4O3/c1-11-9-14(26-10-16(20)24)7-8-15(11)21-18(25)17-12(2)22-23(13(17)3)19(4,5)6/h7-9H,10H2,1-6H3,(H2,20,24)(H,21,25)
InChIKeyRZXWIHKEACPBNC-UHFFFAOYSA-N
XLogP2.68
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 19472160
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide
CID 55774633
N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-2-(2,5-difluorophenyl)acetamide
CID 75374358
2-[4-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-3-methylphenoxy]acetic acid
CID 119231781
N-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide
CID 99976130
2-[3-methyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenoxy]acetic acid
CID 119231451
ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate
CID 15429168
methyl 2-[4-[(4-bromobenzoyl)amino]-3-methylphenoxy]acetate
CID 55916233
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55945160
N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 51092369
2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid
CID 120524856
methyl 2-[4-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-methylphenoxy]acetate
CID 55916102

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-tert-butyl-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-tert-butyl-3,5-dimethylpyrazole-4-carboxamide (CID 71888890) is N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-tert-butyl-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-tert-butyl-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-tert-butyl-3,5-dimethylpyrazole-4-carboxamide is Cc1cc(OCC(N)=O)ccc1NC(=O)c1c(C)nn(C(C)(C)C)c1C.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-tert-butyl-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is RZXWIHKEACPBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-11-9-14(26-10-16(20)24)7-8-15(11)21-18(25)17-12(2)22-23(13(17)3)19(4,5)6/h7-9H,10H2,1-6H3,(H2,20,24)(H,21,25).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-tert-butyl-3,5-dimethylpyrazole-4-carboxamide?
N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-tert-butyl-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.68, 5 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)-2-methylphenyl]-1-tert-butyl-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 71888890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).