2-(carbamoylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide

C11H19N5O2S — CID 112689375

IUPAC2-(carbamoylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C11H19N5O2S/c1-6-7(2)15-16-9(6)14-10(17)8(4-5-19-3)13-11(12)18/h8H,4-5H2,1-3H3,(H3,12,13,18)(H2,14,15,16,17)
InChIKeyRHMZGGHPNDLRPN-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.76
Rot. Bonds6

About 2-(carbamoylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide

2-(carbamoylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide (PubChem CID 112689375) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide
PubChem CID112689375
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name2-(carbamoylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C11H19N5O2S/c1-6-7(2)15-16-9(6)14-10(17)8(4-5-19-3)13-11(12)18/h8H,4-5H2,1-3H3,(H3,12,13,18)(H2,14,15,16,17)
InChIKeyRHMZGGHPNDLRPN-UHFFFAOYSA-N
XLogP0.76
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(carbamoylamino)-N-(4-methylphenyl)-4-methylsulfanylbutanamide
CID 2455996
(2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide
CID 9416153
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide
CID 104618696
(2S)-2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide
CID 107146509
(2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9213493
2-(carbamoylamino)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 78775310
2-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-4-methylsulfanylbutanamide
CID 47097093
2-(carbamoylamino)-N-(2-chloro-4-methylphenyl)-4-methylsulfanylbutanamide
CID 51072518
(2R)-2-(carbamoylamino)-N-(3,5-dimethoxyphenyl)-4-methylsulfanylbutanamide
CID 9453759
(2S)-2-(carbamoylamino)-N-(3,5-dimethoxyphenyl)-4-methylsulfanylbutanamide
CID 9453760
2-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 115624602
2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide
CID 79027563

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide (CID 112689375) is 2-(carbamoylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide is CSCCC(NC(N)=O)C(=O)Nc1n[nH]c(C)c1C.
What is the InChIKey of 2-(carbamoylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide?
The InChIKey is RHMZGGHPNDLRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-6-7(2)15-16-9(6)14-10(17)8(4-5-19-3)13-11(12)18/h8H,4-5H2,1-3H3,(H3,12,13,18)(H2,14,15,16,17).
What are the key properties of 2-(carbamoylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide?
2-(carbamoylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide has a molecular weight of 285.37 g/mol, XLogP of 0.76, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 112689375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).