2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide

C12H21N5O2 — CID 54896664

IUPAC2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NCc1cn[nH]c1C
InChIInChI=1S/C12H21N5O2/c1-4-7(2)10(16-12(13)19)11(18)14-5-9-6-15-17-8(9)3/h6-7,10H,4-5H2,1-3H3,(H,14,18)(H,15,17)(H3,13,16,19)
InChIKeyURJAEFOSZOGAQE-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.42
Rot. Bonds6

About 2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide

2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide (PubChem CID 54896664) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
PubChem CID54896664
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NCc1cn[nH]c1C
InChIInChI=1S/C12H21N5O2/c1-4-7(2)10(16-12(13)19)11(18)14-5-9-6-15-17-8(9)3/h6-7,10H,4-5H2,1-3H3,(H,14,18)(H,15,17)(H3,13,16,19)
InChIKeyURJAEFOSZOGAQE-UHFFFAOYSA-N
XLogP0.42
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide?
The IUPAC name of 2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide (CID 54896664) is 2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide.
What is the SMILES notation for 2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide?
The canonical SMILES for 2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide is CCC(C)C(NC(N)=O)C(=O)NCc1cn[nH]c1C.
What is the InChIKey of 2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide?
The InChIKey is URJAEFOSZOGAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-7(2)10(16-12(13)19)11(18)14-5-9-6-15-17-8(9)3/h6-7,10H,4-5H2,1-3H3,(H,14,18)(H,15,17)(H3,13,16,19).
What are the key properties of 2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide?
2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide has a molecular weight of 267.33 g/mol, XLogP of 0.42, 6 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-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 54896664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).