N-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide

C7H10N4O3 — CID 130497434

IUPACN-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C(=O)NC(N)=O)nn1C
InChIInChI=1S/C7H10N4O3/c1-11-5(14-2)3-4(10-11)6(12)9-7(8)13/h3H,1-2H3,(H3,8,9,12,13)
InChIKeyITFYKTQFIFAQQV-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.76
Rot. Bonds2

About N-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide

N-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide (PubChem CID 130497434) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is N-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide
PubChem CID130497434
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC NameN-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C(=O)NC(N)=O)nn1C
InChIInChI=1S/C7H10N4O3/c1-11-5(14-2)3-4(10-11)6(12)9-7(8)13/h3H,1-2H3,(H3,8,9,12,13)
InChIKeyITFYKTQFIFAQQV-UHFFFAOYSA-N
XLogP-0.76
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide (CID 130497434) is N-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide is COc1cc(C(=O)NC(N)=O)nn1C.
What is the InChIKey of N-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide?
The InChIKey is ITFYKTQFIFAQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-11-5(14-2)3-4(10-11)6(12)9-7(8)13/h3H,1-2H3,(H3,8,9,12,13).
What are the key properties of N-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide?
N-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide has a molecular weight of 198.18 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 130497434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).