ethyl 5-[[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate

C23H20ClN5O4 — CID 19265141

IUPACethyl 5-[[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccn(COc2ccccc2Cl)n1
InChIInChI=1S/C23H20ClN5O4/c1-2-32-23(31)17-14-25-29(16-8-4-3-5-9-16)21(17)26-22(30)19-12-13-28(27-19)15-33-20-11-7-6-10-18(20)24/h3-14H,2,15H2,1H3,(H,26,30)
InChIKeyNBDAGSMQQJBKSM-UHFFFAOYSA-N
MW465.90 g/mol
LogP4.19
Rot. Bonds8

About ethyl 5-[[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate

ethyl 5-[[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate (PubChem CID 19265141) has the molecular formula C23H20ClN5O4 and a molecular weight of 465.90 g/mol. Its IUPAC name is ethyl 5-[[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
PubChem CID19265141
Molecular FormulaC23H20ClN5O4
Molecular Weight465.90 g/mol
Exact Mass465.12
IUPAC Nameethyl 5-[[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccn(COc2ccccc2Cl)n1
InChIInChI=1S/C23H20ClN5O4/c1-2-32-23(31)17-14-25-29(16-8-4-3-5-9-16)21(17)26-22(30)19-12-13-28(27-19)15-33-20-11-7-6-10-18(20)24/h3-14H,2,15H2,1H3,(H,26,30)
InChIKeyNBDAGSMQQJBKSM-UHFFFAOYSA-N
XLogP4.19
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.90
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 19475829
ethyl 5-[(2,4-dichlorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 4547350
ethyl 7-[3-[[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19265319
ethyl 5-[(1-ethylpyrazole-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 19281004
ethyl 5-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19267616
ethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19456865
1-[(2-chlorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19265271
ethyl 5-(butanoylamino)-1-phenylpyrazole-4-carboxylate
CID 5054602
ethyl 5-[[2-(4-chlorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
CID 5086610
1-[(2-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide
CID 17022012
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296849
ethyl 5-[(3-chloro-2,2-dimethylpropanoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 108761383

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate (CID 19265141) is ethyl 5-[[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccn(COc2ccccc2Cl)n1.
What is the InChIKey of ethyl 5-[[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate?
The InChIKey is NBDAGSMQQJBKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O4/c1-2-32-23(31)17-14-25-29(16-8-4-3-5-9-16)21(17)26-22(30)19-12-13-28(27-19)15-33-20-11-7-6-10-18(20)24/h3-14H,2,15H2,1H3,(H,26,30).
What are the key properties of ethyl 5-[[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate?
ethyl 5-[[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate has a molecular weight of 465.90 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 19265141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).