N,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide

C26H29N5O3 — CID 108746115

IUPACN,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C26H29N5O3/c1-4-29(5-2)26(34)22-16-27-31(21-9-7-6-8-10-21)24(22)28-25(33)19-15-23(32)30(17-19)20-13-11-18(3)12-14-20/h6-14,16,19H,4-5,15,17H2,1-3H3,(H,28,33)
InChIKeyULOCHTZPFDVXED-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.65
Rot. Bonds7

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

N,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide (PubChem CID 108746115) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide
PubChem CID108746115
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC NameN,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C26H29N5O3/c1-4-29(5-2)26(34)22-16-27-31(21-9-7-6-8-10-21)24(22)28-25(33)19-15-23(32)30(17-19)20-13-11-18(3)12-14-20/h6-14,16,19H,4-5,15,17H2,1-3H3,(H,28,33)
InChIKeyULOCHTZPFDVXED-UHFFFAOYSA-N
XLogP3.65
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide
CID 108801275
5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746029
ethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 108738675
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44892823
N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
ethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 108761429
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777
5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108783809
N-[4-(dipropylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153801
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 651491

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide (CID 108746115) is N,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1.
What is the InChIKey of N,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is ULOCHTZPFDVXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-4-29(5-2)26(34)22-16-27-31(21-9-7-6-8-10-21)24(22)28-25(33)19-15-23(32)30(17-19)20-13-11-18(3)12-14-20/h6-14,16,19H,4-5,15,17H2,1-3H3,(H,28,33).
What are the key properties of N,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide?
N,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108746115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).