N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide

C13H22N4O — CID 103001655

IUPACN-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide
SMILESCn1nccc1CCNCCCC(=O)NC1CC1
InChIInChI=1S/C13H22N4O/c1-17-12(7-10-15-17)6-9-14-8-2-3-13(18)16-11-4-5-11/h7,10-11,14H,2-6,8-9H2,1H3,(H,16,18)
InChIKeyKKIRIPSNMVHACM-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.61
Rot. Bonds8

About N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide

N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide (PubChem CID 103001655) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide
PubChem CID103001655
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide
SMILESCn1nccc1CCNCCCC(=O)NC1CC1
InChIInChI=1S/C13H22N4O/c1-17-12(7-10-15-17)6-9-14-8-2-3-13(18)16-11-4-5-11/h7,10-11,14H,2-6,8-9H2,1H3,(H,16,18)
InChIKeyKKIRIPSNMVHACM-UHFFFAOYSA-N
XLogP0.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 103005787
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide
CID 78922158
4-[(2-methylpyrazol-3-yl)methylamino]butanamide
CID 60863582
2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 103000916
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 103002033
N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
CID 103000722
2-(azetidin-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 103006800
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 103006585
N-cyclopentyl-3-[[N-ethyl-N'-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]amino]propanamide
CID 111956093
N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
CID 79394133

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide (CID 103001655) is N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide is Cn1nccc1CCNCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide?
The InChIKey is KKIRIPSNMVHACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17-12(7-10-15-17)6-9-14-8-2-3-13(18)16-11-4-5-11/h7,10-11,14H,2-6,8-9H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide?
N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide has a molecular weight of 250.35 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide is sourced from PubChem (CID 103001655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).