N,N-diethyl-5-[(3-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide

C21H21FN4O2 — CID 2274983

IUPACN,N-diethyl-5-[(3-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccc(F)c1
InChIInChI=1S/C21H21FN4O2/c1-3-25(4-2)21(28)18-14-23-26(17-11-6-5-7-12-17)19(18)24-20(27)15-9-8-10-16(22)13-15/h5-14H,3-4H2,1-2H3,(H,24,27)
InChIKeyRBMQQBZTXVUNNA-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.75
Rot. Bonds6

About N,N-diethyl-5-[(3-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide

N,N-diethyl-5-[(3-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide (PubChem CID 2274983) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N,N-diethyl-5-[(3-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-[(3-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
PubChem CID2274983
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN,N-diethyl-5-[(3-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccc(F)c1
InChIInChI=1S/C21H21FN4O2/c1-3-25(4-2)21(28)18-14-23-26(17-11-6-5-7-12-17)19(18)24-20(27)15-9-8-10-16(22)13-15/h5-14H,3-4H2,1-2H3,(H,24,27)
InChIKeyRBMQQBZTXVUNNA-UHFFFAOYSA-N
XLogP3.75
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(3-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N,N-diethyl-5-[(3-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide (CID 2274983) is N,N-diethyl-5-[(3-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-5-[(3-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-5-[(3-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccc(F)c1.
What is the InChIKey of N,N-diethyl-5-[(3-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is RBMQQBZTXVUNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-3-25(4-2)21(28)18-14-23-26(17-11-6-5-7-12-17)19(18)24-20(27)15-9-8-10-16(22)13-15/h5-14H,3-4H2,1-2H3,(H,24,27).
What are the key properties of N,N-diethyl-5-[(3-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
N,N-diethyl-5-[(3-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(3-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2274983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).