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

C11H19N5O2 — CID 54896710

IUPAC2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
SMILESCc1[nH]ncc1CNC(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C11H19N5O2/c1-6(2)9(15-11(12)18)10(17)13-4-8-5-14-16-7(8)3/h5-6,9H,4H2,1-3H3,(H,13,17)(H,14,16)(H3,12,15,18)
InChIKeyODJSOASMFHUJJV-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.03
Rot. Bonds5

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

2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide (PubChem CID 54896710) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
PubChem CID54896710
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
SMILESCc1[nH]ncc1CNC(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C11H19N5O2/c1-6(2)9(15-11(12)18)10(17)13-4-8-5-14-16-7(8)3/h5-6,9H,4H2,1-3H3,(H,13,17)(H,14,16)(H3,12,15,18)
InChIKeyODJSOASMFHUJJV-UHFFFAOYSA-N
XLogP0.03
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 43663763
2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 43747825
1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]azepan-2-one
CID 56817425
2-Methyl-N-((3-methyl-1h-pyrazol-4-yl)methyl)pentanamide
CID 60767988
N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide
CID 75425496
N~2~-[(dimethylamino)carbonyl]-N~1~-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]glycinamide
CID 86285523
N~2~-acetyl-N~1~-methyl-N~1~-(1H-pyrazol-3-ylmethyl)norvalinamide
CID 86287249
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 86808415
N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 86808840
1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,3-trimethylbutyl)urea
CID 99823434
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442
(2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide
CID 124751548

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide?
The IUPAC name of 2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide (CID 54896710) is 2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide.
What is the SMILES notation for 2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide?
The canonical SMILES for 2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide is Cc1[nH]ncc1CNC(=O)C(NC(N)=O)C(C)C.
What is the InChIKey of 2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide?
The InChIKey is ODJSOASMFHUJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-6(2)9(15-11(12)18)10(17)13-4-8-5-14-16-7(8)3/h5-6,9H,4H2,1-3H3,(H,13,17)(H,14,16)(H3,12,15,18).
What are the key properties of 2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide?
2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide has a molecular weight of 253.31 g/mol, XLogP of 0.03, 5 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]butanamide is sourced from PubChem (CID 54896710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).