ethyl 5-(1H-benzimidazol-2-ylamino)-1-phenylpyrazole-4-carboxylate

C19H17N5O2 — CID 108775865

IUPACethyl 5-(1H-benzimidazol-2-ylamino)-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H17N5O2/c1-2-26-18(25)14-12-20-24(13-8-4-3-5-9-13)17(14)23-19-21-15-10-6-7-11-16(15)22-19/h3-12H,2H2,1H3,(H2,21,22,23)
InChIKeyIYABNJXZIIXSGD-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.67
Rot. Bonds5

About ethyl 5-(1H-benzimidazol-2-ylamino)-1-phenylpyrazole-4-carboxylate

ethyl 5-(1H-benzimidazol-2-ylamino)-1-phenylpyrazole-4-carboxylate (PubChem CID 108775865) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is ethyl 5-(1H-benzimidazol-2-ylamino)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1H-benzimidazol-2-ylamino)-1-phenylpyrazole-4-carboxylate
PubChem CID108775865
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Nameethyl 5-(1H-benzimidazol-2-ylamino)-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H17N5O2/c1-2-26-18(25)14-12-20-24(13-8-4-3-5-9-13)17(14)23-19-21-15-10-6-7-11-16(15)22-19/h3-12H,2H2,1H3,(H2,21,22,23)
InChIKeyIYABNJXZIIXSGD-UHFFFAOYSA-N
XLogP3.67
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-phenylpyrazole-4-carboxylate
CID 108775869
ethyl 1-[4-(1H-benzimidazol-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate
CID 46403197
ethyl 5-(butanoylamino)-1-phenylpyrazole-4-carboxylate
CID 5054602
ethyl 5-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-phenylpyrazole-4-carboxylate
CID 108775848
ethyl 5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxylate
CID 4622223
ethyl 1-(1H-benzimidazol-2-yl)-5-[(benzylamino)methyl]pyrazole-4-carboxylate
CID 118758520
ethyl 5-[(3-chloro-2,2-dimethylpropanoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 108761383
ethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 4227534
ethyl 5-[(4-methoxyphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
CID 5065328
ethyl 5-[[2-(4-chlorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
CID 5086610
ethyl 5-[(1-ethylpyrazole-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 19281004
ethyl 5-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 19263890

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1H-benzimidazol-2-ylamino)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(1H-benzimidazol-2-ylamino)-1-phenylpyrazole-4-carboxylate (CID 108775865) is ethyl 5-(1H-benzimidazol-2-ylamino)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(1H-benzimidazol-2-ylamino)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(1H-benzimidazol-2-ylamino)-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1Nc1nc2ccccc2[nH]1.
What is the InChIKey of ethyl 5-(1H-benzimidazol-2-ylamino)-1-phenylpyrazole-4-carboxylate?
The InChIKey is IYABNJXZIIXSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-2-26-18(25)14-12-20-24(13-8-4-3-5-9-13)17(14)23-19-21-15-10-6-7-11-16(15)22-19/h3-12H,2H2,1H3,(H2,21,22,23).
What are the key properties of ethyl 5-(1H-benzimidazol-2-ylamino)-1-phenylpyrazole-4-carboxylate?
ethyl 5-(1H-benzimidazol-2-ylamino)-1-phenylpyrazole-4-carboxylate has a molecular weight of 347.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1H-benzimidazol-2-ylamino)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 108775865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).