N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide

C13H24N4O — CID 80683092

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCCc1cnn(C)c1
InChIInChI=1S/C13H24N4O/c1-11(2)14-7-4-5-13(18)15-8-6-12-9-16-17(3)10-12/h9-11,14H,4-8H2,1-3H3,(H,15,18)
InChIKeySKYDEPHEYDTAFU-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.86
Rot. Bonds8

About N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide

N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide (PubChem CID 80683092) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide
PubChem CID80683092
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCCc1cnn(C)c1
InChIInChI=1S/C13H24N4O/c1-11(2)14-7-4-5-13(18)15-8-6-12-9-16-17(3)10-12/h9-11,14H,4-8H2,1-3H3,(H,15,18)
InChIKeySKYDEPHEYDTAFU-UHFFFAOYSA-N
XLogP0.86
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.86
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-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
CID 80682207
5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide
CID 80683229
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one
CID 103023561
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 91838881
3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682189
4-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)butan-2-one
CID 103023542
5-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119234671
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107032863
2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid
CID 80689022

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide (CID 80683092) is N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)NCCc1cnn(C)c1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is SKYDEPHEYDTAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(2)14-7-4-5-13(18)15-8-6-12-9-16-17(3)10-12/h9-11,14H,4-8H2,1-3H3,(H,15,18).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide?
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 252.36 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 80683092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).