(2S)-2-(3-pyrazol-1-ylazetidin-1-yl)butanamide

C10H16N4O — CID 95611900

IUPAC(2S)-2-(3-pyrazol-1-ylazetidin-1-yl)butanamide
SMILESCC[C@@H](C(N)=O)N1CC(n2cccn2)C1
InChIInChI=1S/C10H16N4O/c1-2-9(10(11)15)13-6-8(7-13)14-5-3-4-12-14/h3-5,8-9H,2,6-7H2,1H3,(H2,11,15)/t9-/m0/s1
InChIKeyPTRHBUNTIDYDLM-VIFPVBQESA-N
MW208.26 g/mol
LogP0.00
Rot. Bonds4

About (2S)-2-(3-pyrazol-1-ylazetidin-1-yl)butanamide

(2S)-2-(3-pyrazol-1-ylazetidin-1-yl)butanamide (PubChem CID 95611900) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-(3-pyrazol-1-ylazetidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3-pyrazol-1-ylazetidin-1-yl)butanamide
PubChem CID95611900
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(2S)-2-(3-pyrazol-1-ylazetidin-1-yl)butanamide
SMILESCC[C@@H](C(N)=O)N1CC(n2cccn2)C1
InChIInChI=1S/C10H16N4O/c1-2-9(10(11)15)13-6-8(7-13)14-5-3-4-12-14/h3-5,8-9H,2,6-7H2,1H3,(H2,11,15)/t9-/m0/s1
InChIKeyPTRHBUNTIDYDLM-VIFPVBQESA-N
XLogP0.00
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-pyrazol-1-ylazetidin-1-yl)butanamide?
The IUPAC name of (2S)-2-(3-pyrazol-1-ylazetidin-1-yl)butanamide (CID 95611900) is (2S)-2-(3-pyrazol-1-ylazetidin-1-yl)butanamide.
What is the SMILES notation for (2S)-2-(3-pyrazol-1-ylazetidin-1-yl)butanamide?
The canonical SMILES for (2S)-2-(3-pyrazol-1-ylazetidin-1-yl)butanamide is CC[C@@H](C(N)=O)N1CC(n2cccn2)C1.
What is the InChIKey of (2S)-2-(3-pyrazol-1-ylazetidin-1-yl)butanamide?
The InChIKey is PTRHBUNTIDYDLM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-9(10(11)15)13-6-8(7-13)14-5-3-4-12-14/h3-5,8-9H,2,6-7H2,1H3,(H2,11,15)/t9-/m0/s1.
What are the key properties of (2S)-2-(3-pyrazol-1-ylazetidin-1-yl)butanamide?
(2S)-2-(3-pyrazol-1-ylazetidin-1-yl)butanamide has a molecular weight of 208.26 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-pyrazol-1-ylazetidin-1-yl)butanamide is sourced from PubChem (CID 95611900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).