N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]acetamide

C11H19N5O2 — CID 71864901

IUPACN-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]acetamide
SMILESCCNC(=O)CNC(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C11H19N5O2/c1-4-12-10(17)6-13-11(18)15-9-5-14-16(7-9)8(2)3/h5,7-8H,4,6H2,1-3H3,(H,12,17)(H2,13,15,18)
InChIKeyQAPDDKVPPWZPKU-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.72
Rot. Bonds5

About N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]acetamide

N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]acetamide (PubChem CID 71864901) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]acetamide
PubChem CID71864901
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]acetamide
SMILESCCNC(=O)CNC(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C11H19N5O2/c1-4-12-10(17)6-13-11(18)15-9-5-14-16(7-9)8(2)3/h5,7-8H,4,6H2,1-3H3,(H,12,17)(H2,13,15,18)
InChIKeyQAPDDKVPPWZPKU-UHFFFAOYSA-N
XLogP0.72
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]acetamide?
The IUPAC name of N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]acetamide (CID 71864901) is N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]acetamide?
The canonical SMILES for N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]acetamide is CCNC(=O)CNC(=O)Nc1cnn(C(C)C)c1.
What is the InChIKey of N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]acetamide?
The InChIKey is QAPDDKVPPWZPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-4-12-10(17)6-13-11(18)15-9-5-14-16(7-9)8(2)3/h5,7-8H,4,6H2,1-3H3,(H,12,17)(H2,13,15,18).
What are the key properties of N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]acetamide?
N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]acetamide has a molecular weight of 253.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]acetamide is sourced from PubChem (CID 71864901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).