N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide

C15H15N7O3 — CID 167971765

IUPACN-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide
SMILESCc1cc(C(=O)Nc2cn[nH]c2C(=O)NCC(N)=O)c2[nH]ncc2c1
InChIInChI=1S/C15H15N7O3/c1-7-2-8-4-18-21-12(8)9(3-7)14(24)20-10-5-19-22-13(10)15(25)17-6-11(16)23/h2-5H,6H2,1H3,(H2,16,23)(H,17,25)(H,18,21)(H,19,22)(H,20,24)
InChIKeyAOUFTYXQULDFGT-UHFFFAOYSA-N
MW341.33 g/mol
LogP0.06
Rot. Bonds5

About N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide

N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide (PubChem CID 167971765) has the molecular formula C15H15N7O3 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide
PubChem CID167971765
Molecular FormulaC15H15N7O3
Molecular Weight341.33 g/mol
Exact Mass341.12
IUPAC NameN-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide
SMILESCc1cc(C(=O)Nc2cn[nH]c2C(=O)NCC(N)=O)c2[nH]ncc2c1
InChIInChI=1S/C15H15N7O3/c1-7-2-8-4-18-21-12(8)9(3-7)14(24)20-10-5-19-22-13(10)15(25)17-6-11(16)23/h2-5H,6H2,1H3,(H2,16,23)(H,17,25)(H,18,21)(H,19,22)(H,20,24)
InChIKeyAOUFTYXQULDFGT-UHFFFAOYSA-N
XLogP0.06
TPSA158.65 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 50.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide?
The IUPAC name of N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide (CID 167971765) is N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide?
The canonical SMILES for N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide is Cc1cc(C(=O)Nc2cn[nH]c2C(=O)NCC(N)=O)c2[nH]ncc2c1.
What is the InChIKey of N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide?
The InChIKey is AOUFTYXQULDFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O3/c1-7-2-8-4-18-21-12(8)9(3-7)14(24)20-10-5-19-22-13(10)15(25)17-6-11(16)23/h2-5H,6H2,1H3,(H2,16,23)(H,17,25)(H,18,21)(H,19,22)(H,20,24).
What are the key properties of N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide?
N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 0.06, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide is sourced from PubChem (CID 167971765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).