N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride

C21H33ClN4O — CID 119526238

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride
SMILESCCc1c(C(=O)NCC(N)c2ccc(C(C)C)cc2)cnn1C(C)(C)C.Cl
InChIInChI=1S/C21H32N4O.ClH/c1-7-19-17(12-24-25(19)21(4,5)6)20(26)23-13-18(22)16-10-8-15(9-11-16)14(2)3;/h8-12,14,18H,7,13,22H2,1-6H3,(H,23,26);1H
InChIKeyNFDUEHCCQJBSBG-UHFFFAOYSA-N
MW392.98 g/mol
LogP4.18
Rot. Bonds6

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119526238) has the molecular formula C21H33ClN4O and a molecular weight of 392.98 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride
PubChem CID119526238
Molecular FormulaC21H33ClN4O
Molecular Weight392.98 g/mol
Exact Mass392.23
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride
SMILESCCc1c(C(=O)NCC(N)c2ccc(C(C)C)cc2)cnn1C(C)(C)C.Cl
InChIInChI=1S/C21H32N4O.ClH/c1-7-19-17(12-24-25(19)21(4,5)6)20(26)23-13-18(22)16-10-8-15(9-11-16)14(2)3;/h8-12,14,18H,7,13,22H2,1-6H3,(H,23,26);1H
InChIKeyNFDUEHCCQJBSBG-UHFFFAOYSA-N
XLogP4.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.98
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-5-ethyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
CID 120826921
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119526949
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride
CID 119525380
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 119525632
2-acetyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 119525343
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119526338
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride
CID 119527260
3-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541354
2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 119525363
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide
CID 119526547
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 119527349
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride
CID 119526384

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride (CID 119526238) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride is CCc1c(C(=O)NCC(N)c2ccc(C(C)C)cc2)cnn1C(C)(C)C.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is NFDUEHCCQJBSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O.ClH/c1-7-19-17(12-24-25(19)21(4,5)6)20(26)23-13-18(22)16-10-8-15(9-11-16)14(2)3;/h8-12,14,18H,7,13,22H2,1-6H3,(H,23,26);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 392.98 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119526238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).