5-(1,3-benzoxazol-2-ylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide

C21H21N5O2 — CID 108778548

IUPAC5-(1,3-benzoxazol-2-ylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1Nc1nc2ccccc2o1
InChIInChI=1S/C21H21N5O2/c1-3-25(4-2)20(27)16-14-22-26(15-10-6-5-7-11-15)19(16)24-21-23-17-12-8-9-13-18(17)28-21/h5-14H,3-4H2,1-2H3,(H,23,24)
InChIKeyJORHECUWJUWQKO-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.24
Rot. Bonds6

About 5-(1,3-benzoxazol-2-ylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide

5-(1,3-benzoxazol-2-ylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 108778548) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-2-ylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzoxazol-2-ylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
PubChem CID108778548
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name5-(1,3-benzoxazol-2-ylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1Nc1nc2ccccc2o1
InChIInChI=1S/C21H21N5O2/c1-3-25(4-2)20(27)16-14-22-26(15-10-6-5-7-11-15)19(16)24-21-23-17-12-8-9-13-18(17)28-21/h5-14H,3-4H2,1-2H3,(H,23,24)
InChIKeyJORHECUWJUWQKO-UHFFFAOYSA-N
XLogP4.24
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746029
N,N-diethyl-5-[(5-methylfuran-2-carbonyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746142
ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746081
5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768353
N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide
CID 108768330
5-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108778566
N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
CID 108746061
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336
5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108783809
N,N-diethyl-5-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-1-phenylpyrazole-4-carboxamide
CID 108778539
N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide
CID 11403408

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzoxazol-2-ylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-(1,3-benzoxazol-2-ylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide (CID 108778548) is 5-(1,3-benzoxazol-2-ylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(1,3-benzoxazol-2-ylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-(1,3-benzoxazol-2-ylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1Nc1nc2ccccc2o1.
What is the InChIKey of 5-(1,3-benzoxazol-2-ylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is JORHECUWJUWQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-3-25(4-2)20(27)16-14-22-26(15-10-6-5-7-11-15)19(16)24-21-23-17-12-8-9-13-18(17)28-21/h5-14H,3-4H2,1-2H3,(H,23,24).
What are the key properties of 5-(1,3-benzoxazol-2-ylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
5-(1,3-benzoxazol-2-ylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzoxazol-2-ylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108778548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).