propan-2-yl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-ethylpyrazole-3-carboxylate

C21H25N5O3 — CID 19404390

IUPACpropan-2-yl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c(C(=O)OC(C)C)n1
InChIInChI=1S/C21H25N5O3/c1-6-25-12-17(19(24-25)21(28)29-13(2)3)22-20(27)18-14(4)23-26(15(18)5)16-10-8-7-9-11-16/h7-13H,6H2,1-5H3,(H,22,27)
InChIKeyZTETXMWJUHHMEP-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.52
Rot. Bonds6

About propan-2-yl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-ethylpyrazole-3-carboxylate

propan-2-yl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-ethylpyrazole-3-carboxylate (PubChem CID 19404390) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is propan-2-yl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-ethylpyrazole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
PubChem CID19404390
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Namepropan-2-yl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c(C(=O)OC(C)C)n1
InChIInChI=1S/C21H25N5O3/c1-6-25-12-17(19(24-25)21(28)29-13(2)3)22-20(27)18-14(4)23-26(15(18)5)16-10-8-7-9-11-16/h7-13H,6H2,1-5H3,(H,22,27)
InChIKeyZTETXMWJUHHMEP-UHFFFAOYSA-N
XLogP3.52
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 19281718
N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472293
propan-2-yl 4-(butanoylamino)-1-ethylpyrazole-3-carboxylate
CID 19404584
propan-2-yl 1-ethyl-4-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxylate
CID 19404561
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19333164
propan-2-yl 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate
CID 19404429
propan-2-yl 1-ethyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-3-carboxylate
CID 19404512
N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281731
propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate
CID 19402731
N-(2,5-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26244719
N-(5-chloro-2-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472297
methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 19474420

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-ethylpyrazole-3-carboxylate?
The IUPAC name of propan-2-yl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-ethylpyrazole-3-carboxylate (CID 19404390) is propan-2-yl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-ethylpyrazole-3-carboxylate.
What is the SMILES notation for propan-2-yl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-ethylpyrazole-3-carboxylate?
The canonical SMILES for propan-2-yl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-ethylpyrazole-3-carboxylate is CCn1cc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c(C(=O)OC(C)C)n1.
What is the InChIKey of propan-2-yl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-ethylpyrazole-3-carboxylate?
The InChIKey is ZTETXMWJUHHMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-6-25-12-17(19(24-25)21(28)29-13(2)3)22-20(27)18-14(4)23-26(15(18)5)16-10-8-7-9-11-16/h7-13H,6H2,1-5H3,(H,22,27).
What are the key properties of propan-2-yl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-ethylpyrazole-3-carboxylate?
propan-2-yl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-ethylpyrazole-3-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-ethylpyrazole-3-carboxylate is sourced from PubChem (CID 19404390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).