N-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide

C9H15N5O3 — CID 114255775

IUPACN-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide
SMILESCOc1cc(CNCC(=O)NC(N)=O)nn1C
InChIInChI=1S/C9H15N5O3/c1-14-8(17-2)3-6(13-14)4-11-5-7(15)12-9(10)16/h3,11H,4-5H2,1-2H3,(H3,10,12,15,16)
InChIKeyCDFIEOPSXPVPTB-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.29
Rot. Bonds5

About N-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide

N-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide (PubChem CID 114255775) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide
PubChem CID114255775
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC NameN-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide
SMILESCOc1cc(CNCC(=O)NC(N)=O)nn1C
InChIInChI=1S/C9H15N5O3/c1-14-8(17-2)3-6(13-14)4-11-5-7(15)12-9(10)16/h3,11H,4-5H2,1-2H3,(H3,10,12,15,16)
InChIKeyCDFIEOPSXPVPTB-UHFFFAOYSA-N
XLogP-1.29
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide?
The IUPAC name of N-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide (CID 114255775) is N-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide?
The canonical SMILES for N-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide is COc1cc(CNCC(=O)NC(N)=O)nn1C.
What is the InChIKey of N-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide?
The InChIKey is CDFIEOPSXPVPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-14-8(17-2)3-6(13-14)4-11-5-7(15)12-9(10)16/h3,11H,4-5H2,1-2H3,(H3,10,12,15,16).
What are the key properties of N-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide?
N-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide has a molecular weight of 241.25 g/mol, XLogP of -1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide is sourced from PubChem (CID 114255775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).