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

C9H15N5O2S — CID 43430101

IUPAC2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCSCCC(NC(N)=O)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H15N5O2S/c1-17-3-2-7(14-9(10)16)8(15)13-6-4-11-12-5-6/h4-5,7H,2-3H2,1H3,(H,11,12)(H,13,15)(H3,10,14,16)
InChIKeyIVEIWFGLFIDDDQ-UHFFFAOYSA-N
MW257.32 g/mol
LogP0.14
Rot. Bonds6

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

2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide (PubChem CID 43430101) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide
PubChem CID43430101
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC Name2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCSCCC(NC(N)=O)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H15N5O2S/c1-17-3-2-7(14-9(10)16)8(15)13-6-4-11-12-5-6/h4-5,7H,2-3H2,1H3,(H,11,12)(H,13,15)(H3,10,14,16)
InChIKeyIVEIWFGLFIDDDQ-UHFFFAOYSA-N
XLogP0.14
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1H-pyrazol-4-yl)-4-(3-sulfanylpropanoylamino)butanamide
CID 177681374
2-acetamido-3-methyl-N-(1H-pyrazol-4-yl)butanamide
CID 43429350
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429369
2-acetamido-N-(1H-pyrazol-4-yl)propanamide
CID 43429400
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429562
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-yl)butanamide
CID 43429616
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide
CID 43429651
2-methylsulfanyl-N-(1H-pyrazol-4-yl)acetamide
CID 43429726
2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]propanamide
CID 43429751
3-methylsulfanyl-N-(1H-pyrazol-4-yl)propanamide
CID 43429755
3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide
CID 43429799
2-butylsulfanyl-N-(1H-pyrazol-4-yl)acetamide
CID 43429816

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide (CID 43430101) is 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide is CSCCC(NC(N)=O)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide?
The InChIKey is IVEIWFGLFIDDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c1-17-3-2-7(14-9(10)16)8(15)13-6-4-11-12-5-6/h4-5,7H,2-3H2,1H3,(H,11,12)(H,13,15)(H3,10,14,16).
What are the key properties of 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide?
2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide has a molecular weight of 257.32 g/mol, XLogP of 0.14, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 43430101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).