2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl-methylamino]-N-methylacetamide

C11H19N5O2 — CID 119059483

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(=O)NCc1c(C)n[nH]c1C
InChIInChI=1S/C11H19N5O2/c1-7-9(8(2)15-14-7)5-13-11(18)16(4)6-10(17)12-3/h5-6H2,1-4H3,(H,12,17)(H,13,18)(H,14,15)
InChIKeyPTSSXVPJLGZTFH-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.09
Rot. Bonds4

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl-methylamino]-N-methylacetamide

2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl-methylamino]-N-methylacetamide (PubChem CID 119059483) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl-methylamino]-N-methylacetamide
PubChem CID119059483
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(=O)NCc1c(C)n[nH]c1C
InChIInChI=1S/C11H19N5O2/c1-7-9(8(2)15-14-7)5-13-11(18)16(4)6-10(17)12-3/h5-6H2,1-4H3,(H,12,17)(H,13,18)(H,14,15)
InChIKeyPTSSXVPJLGZTFH-UHFFFAOYSA-N
XLogP-0.09
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl-methylamino]-N-methylacetamide (CID 119059483) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)C(=O)NCc1c(C)n[nH]c1C.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl-methylamino]-N-methylacetamide?
The InChIKey is PTSSXVPJLGZTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-7-9(8(2)15-14-7)5-13-11(18)16(4)6-10(17)12-3/h5-6H2,1-4H3,(H,12,17)(H,13,18)(H,14,15).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl-methylamino]-N-methylacetamide?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl-methylamino]-N-methylacetamide has a molecular weight of 253.31 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 119059483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).