N,N-diethyl-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylpyrazole-4-carboxamide

C24H25N5O3 — CID 108746133

IUPACN,N-diethyl-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)Cc1noc2ccc(C)cc12
InChIInChI=1S/C24H25N5O3/c1-4-28(5-2)24(31)19-15-25-29(17-9-7-6-8-10-17)23(19)26-22(30)14-20-18-13-16(3)11-12-21(18)32-27-20/h6-13,15H,4-5,14H2,1-3H3,(H,26,30)
InChIKeyIMDASLVTHOBCTD-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.99
Rot. Bonds7

About N,N-diethyl-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylpyrazole-4-carboxamide

N,N-diethyl-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylpyrazole-4-carboxamide (PubChem CID 108746133) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N,N-diethyl-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylpyrazole-4-carboxamide
PubChem CID108746133
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN,N-diethyl-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)Cc1noc2ccc(C)cc12
InChIInChI=1S/C24H25N5O3/c1-4-28(5-2)24(31)19-15-25-29(17-9-7-6-8-10-17)23(19)26-22(30)14-20-18-13-16(3)11-12-21(18)32-27-20/h6-13,15H,4-5,14H2,1-3H3,(H,26,30)
InChIKeyIMDASLVTHOBCTD-UHFFFAOYSA-N
XLogP3.99
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 108803231
N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide
CID 108768330
ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746081
2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid
CID 108803274
N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746111
N,N-diethyl-5-[(5-methylfuran-2-carbonyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746142
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108738156
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746029
2-(5-methyl-1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
CID 22519774

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N,N-diethyl-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylpyrazole-4-carboxamide (CID 108746133) is N,N-diethyl-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)Cc1noc2ccc(C)cc12.
What is the InChIKey of N,N-diethyl-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is IMDASLVTHOBCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-4-28(5-2)24(31)19-15-25-29(17-9-7-6-8-10-17)23(19)26-22(30)14-20-18-13-16(3)11-12-21(18)32-27-20/h6-13,15H,4-5,14H2,1-3H3,(H,26,30).
What are the key properties of N,N-diethyl-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylpyrazole-4-carboxamide?
N,N-diethyl-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108746133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).