N-ethyl-N-(oxolan-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide

C14H23N3O2 — CID 74234764

IUPACN-ethyl-N-(oxolan-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide
SMILESCCN(CC1CCCO1)C(=O)CCCc1cn[nH]c1
InChIInChI=1S/C14H23N3O2/c1-2-17(11-13-6-4-8-19-13)14(18)7-3-5-12-9-15-16-10-12/h9-10,13H,2-8,11H2,1H3,(H,15,16)
InChIKeyWGJGQQNHBMNNKR-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.76
Rot. Bonds7

About N-ethyl-N-(oxolan-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide

N-ethyl-N-(oxolan-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide (PubChem CID 74234764) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide
PubChem CID74234764
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-ethyl-N-(oxolan-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide
SMILESCCN(CC1CCCO1)C(=O)CCCc1cn[nH]c1
InChIInChI=1S/C14H23N3O2/c1-2-17(11-13-6-4-8-19-13)14(18)7-3-5-12-9-15-16-10-12/h9-10,13H,2-8,11H2,1H3,(H,15,16)
InChIKeyWGJGQQNHBMNNKR-UHFFFAOYSA-N
XLogP1.76
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide (CID 74234764) is N-ethyl-N-(oxolan-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-ethyl-N-(oxolan-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-ethyl-N-(oxolan-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide is CCN(CC1CCCO1)C(=O)CCCc1cn[nH]c1.
What is the InChIKey of N-ethyl-N-(oxolan-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide?
The InChIKey is WGJGQQNHBMNNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-17(11-13-6-4-8-19-13)14(18)7-3-5-12-9-15-16-10-12/h9-10,13H,2-8,11H2,1H3,(H,15,16).
What are the key properties of N-ethyl-N-(oxolan-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide?
N-ethyl-N-(oxolan-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide has a molecular weight of 265.36 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 74234764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).