N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide

C23H28N4O2 — CID 119526509

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NCC(N)c3ccc(C(C)C)cc3)cn2)cc1
InChIInChI=1S/C23H28N4O2/c1-16(2)18-6-8-19(9-7-18)22(24)13-25-23(28)20-12-26-27(15-20)14-17-4-10-21(29-3)11-5-17/h4-12,15-16,22H,13-14,24H2,1-3H3,(H,25,28)
InChIKeyBBHJSWXDWONFJA-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.49
Rot. Bonds8

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 119526509) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
PubChem CID119526509
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NCC(N)c3ccc(C(C)C)cc3)cn2)cc1
InChIInChI=1S/C23H28N4O2/c1-16(2)18-6-8-19(9-7-18)22(24)13-25-23(28)20-12-26-27(15-20)14-17-4-10-21(29-3)11-5-17/h4-12,15-16,22H,13-14,24H2,1-3H3,(H,25,28)
InChIKeyBBHJSWXDWONFJA-UHFFFAOYSA-N
XLogP3.49
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
CID 31909068
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide
CID 119526277
N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 119659743
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 119527201
methyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate
CID 69189191
N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride
CID 119659742
methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate
CID 126811745
1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
CID 43045112
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 119526669

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide (CID 119526509) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide is COc1ccc(Cn2cc(C(=O)NCC(N)c3ccc(C(C)C)cc3)cn2)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is BBHJSWXDWONFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16(2)18-6-8-19(9-7-18)22(24)13-25-23(28)20-12-26-27(15-20)14-17-4-10-21(29-3)11-5-17/h4-12,15-16,22H,13-14,24H2,1-3H3,(H,25,28).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 119526509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).