4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide

C24H32N6O3 — CID 19400129

IUPAC4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)c1ccn(COc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C24H32N6O3/c1-6-13-25-23(32)21-20(15-29(7-2)28-21)26-22(31)19-12-14-30(27-19)16-33-18-10-8-17(9-11-18)24(3,4)5/h8-12,14-15H,6-7,13,16H2,1-5H3,(H,25,32)(H,26,31)
InChIKeySVPFNRZSUKOLIU-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.83
Rot. Bonds9

About 4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide

4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide (PubChem CID 19400129) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is 4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
PubChem CID19400129
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)c1ccn(COc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C24H32N6O3/c1-6-13-25-23(32)21-20(15-29(7-2)28-21)26-22(31)19-12-14-30(27-19)16-33-18-10-8-17(9-11-18)24(3,4)5/h8-12,14-15H,6-7,13,16H2,1-5H3,(H,25,32)(H,26,31)
InChIKeySVPFNRZSUKOLIU-UHFFFAOYSA-N
XLogP3.83
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide with MolForge

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Related Compounds

methyl 1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxylate
CID 19273262
4-[[1-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19280369
1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19273181
methyl 1-ethyl-4-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxylate
CID 19269450
methyl 4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methylpyrazole-3-carboxylate
CID 19341685
1-ethyl-N-(2-methylpropyl)-4-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19273568
1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19273902
4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 5241870
4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19400126
propan-2-yl 1-ethyl-4-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxylate
CID 19404561
1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
CID 19275922
4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19270063

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide?
The IUPAC name of 4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide (CID 19400129) is 4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide is CCCNC(=O)c1nn(CC)cc1NC(=O)c1ccn(COc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide?
The InChIKey is SVPFNRZSUKOLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-6-13-25-23(32)21-20(15-29(7-2)28-21)26-22(31)19-12-14-30(27-19)16-33-18-10-8-17(9-11-18)24(3,4)5/h8-12,14-15H,6-7,13,16H2,1-5H3,(H,25,32)(H,26,31).
What are the key properties of 4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide?
4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 19400129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).