2-(carbamoylamino)-3-methyl-N-(1H-pyrazol-4-yl)butanamide

C9H15N5O2 — CID 43540385

IUPAC2-(carbamoylamino)-3-methyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCC(C)C(NC(N)=O)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H15N5O2/c1-5(2)7(14-9(10)16)8(15)13-6-3-11-12-4-6/h3-5,7H,1-2H3,(H,11,12)(H,13,15)(H3,10,14,16)
InChIKeyJXHUCDJOWXKCST-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.04
Rot. Bonds4

About 2-(carbamoylamino)-3-methyl-N-(1H-pyrazol-4-yl)butanamide

2-(carbamoylamino)-3-methyl-N-(1H-pyrazol-4-yl)butanamide (PubChem CID 43540385) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-methyl-N-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3-methyl-N-(1H-pyrazol-4-yl)butanamide
PubChem CID43540385
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-(carbamoylamino)-3-methyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCC(C)C(NC(N)=O)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H15N5O2/c1-5(2)7(14-9(10)16)8(15)13-6-3-11-12-4-6/h3-5,7H,1-2H3,(H,11,12)(H,13,15)(H3,10,14,16)
InChIKeyJXHUCDJOWXKCST-UHFFFAOYSA-N
XLogP0.04
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-methyl-N-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of 2-(carbamoylamino)-3-methyl-N-(1H-pyrazol-4-yl)butanamide (CID 43540385) is 2-(carbamoylamino)-3-methyl-N-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for 2-(carbamoylamino)-3-methyl-N-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for 2-(carbamoylamino)-3-methyl-N-(1H-pyrazol-4-yl)butanamide is CC(C)C(NC(N)=O)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-(carbamoylamino)-3-methyl-N-(1H-pyrazol-4-yl)butanamide?
The InChIKey is JXHUCDJOWXKCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-5(2)7(14-9(10)16)8(15)13-6-3-11-12-4-6/h3-5,7H,1-2H3,(H,11,12)(H,13,15)(H3,10,14,16).
What are the key properties of 2-(carbamoylamino)-3-methyl-N-(1H-pyrazol-4-yl)butanamide?
2-(carbamoylamino)-3-methyl-N-(1H-pyrazol-4-yl)butanamide has a molecular weight of 225.25 g/mol, XLogP of 0.04, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3-methyl-N-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 43540385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).