1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide

C15H16N6O2 — CID 142418199

IUPAC1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC)n(Cc2cccc3[nH]ncc23)n1
InChIInChI=1S/C15H16N6O2/c1-16-14(22)12-6-13(15(23)17-2)21(20-12)8-9-4-3-5-11-10(9)7-18-19-11/h3-7H,8H2,1-2H3,(H,16,22)(H,17,23)(H,18,19)
InChIKeyATCXRXWZWIYBOO-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.53
Rot. Bonds4

About 1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide

1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide (PubChem CID 142418199) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide
PubChem CID142418199
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC)n(Cc2cccc3[nH]ncc23)n1
InChIInChI=1S/C15H16N6O2/c1-16-14(22)12-6-13(15(23)17-2)21(20-12)8-9-4-3-5-11-10(9)7-18-19-11/h3-7H,8H2,1-2H3,(H,16,22)(H,17,23)(H,18,19)
InChIKeyATCXRXWZWIYBOO-UHFFFAOYSA-N
XLogP0.53
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide?
The IUPAC name of 1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide (CID 142418199) is 1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC)n(Cc2cccc3[nH]ncc23)n1.
What is the InChIKey of 1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide?
The InChIKey is ATCXRXWZWIYBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-16-14(22)12-6-13(15(23)17-2)21(20-12)8-9-4-3-5-11-10(9)7-18-19-11/h3-7H,8H2,1-2H3,(H,16,22)(H,17,23)(H,18,19).
What are the key properties of 1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide?
1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide has a molecular weight of 312.33 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 142418199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).