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

C11H19N5O2S — CID 54896711

IUPAC2-(carbamoylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)NCc1cn[nH]c1C
InChIInChI=1S/C11H19N5O2S/c1-7-8(6-14-16-7)5-13-10(17)9(3-4-19-2)15-11(12)18/h6,9H,3-5H2,1-2H3,(H,13,17)(H,14,16)(H3,12,15,18)
InChIKeyJFDPFCMLCLWEHG-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.12
Rot. Bonds7

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

2-(carbamoylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide (PubChem CID 54896711) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide
PubChem CID54896711
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name2-(carbamoylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)NCc1cn[nH]c1C
InChIInChI=1S/C11H19N5O2S/c1-7-8(6-14-16-7)5-13-10(17)9(3-4-19-2)15-11(12)18/h6,9H,3-5H2,1-2H3,(H,13,17)(H,14,16)(H3,12,15,18)
InChIKeyJFDPFCMLCLWEHG-UHFFFAOYSA-N
XLogP0.12
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 43663763
N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 86808840
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442
(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 124624513
(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 124624514
(3R)-3-[[(2S)-4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-oxopentan-2-yl]carbamoyl]thiomorpholine-4-carboxylic acid
CID 170170702
2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]propanamide
CID 43663604
N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]acetamide
CID 43663664
N-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 43663738
N,N-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 43663739
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide
CID 43663755
N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 43663761

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide (CID 54896711) is 2-(carbamoylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide is CSCCC(NC(N)=O)C(=O)NCc1cn[nH]c1C.
What is the InChIKey of 2-(carbamoylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide?
The InChIKey is JFDPFCMLCLWEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-7-8(6-14-16-7)5-13-10(17)9(3-4-19-2)15-11(12)18/h6,9H,3-5H2,1-2H3,(H,13,17)(H,14,16)(H3,12,15,18).
What are the key properties of 2-(carbamoylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide?
2-(carbamoylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide has a molecular weight of 285.37 g/mol, XLogP of 0.12, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 54896711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).