3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide

C15H15N5O3 — CID 71827966

IUPAC3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ncc[nH]3)[nH]n2)cc1OC
InChIInChI=1S/C15H15N5O3/c1-22-12-4-3-9(7-13(12)23-2)10-8-11(20-19-10)14(21)18-15-16-5-6-17-15/h3-8H,1-2H3,(H,19,20)(H2,16,17,18,21)
InChIKeyBEHFJSUDAFHFRP-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.07
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide

3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 71827966) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID71827966
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ncc[nH]3)[nH]n2)cc1OC
InChIInChI=1S/C15H15N5O3/c1-22-12-4-3-9(7-13(12)23-2)10-8-11(20-19-10)14(21)18-15-16-5-6-17-15/h3-8H,1-2H3,(H,19,20)(H2,16,17,18,21)
InChIKeyBEHFJSUDAFHFRP-UHFFFAOYSA-N
XLogP2.07
TPSA104.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide (CID 71827966) is 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ncc[nH]3)[nH]n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is BEHFJSUDAFHFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-22-12-4-3-9(7-13(12)23-2)10-8-11(20-19-10)14(21)18-15-16-5-6-17-15/h3-8H,1-2H3,(H,19,20)(H2,16,17,18,21).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide?
3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71827966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).