N-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide

C10H16N4O — CID 73439221

IUPACN-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide
SMILESCc1ccn(CCNC(=O)C2CNC2)n1
InChIInChI=1S/C10H16N4O/c1-8-2-4-14(13-8)5-3-12-10(15)9-6-11-7-9/h2,4,9,11H,3,5-7H2,1H3,(H,12,15)
InChIKeyIKJCWQGJPUTAIL-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.47
Rot. Bonds4

About N-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide

N-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide (PubChem CID 73439221) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide
PubChem CID73439221
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide
SMILESCc1ccn(CCNC(=O)C2CNC2)n1
InChIInChI=1S/C10H16N4O/c1-8-2-4-14(13-8)5-3-12-10(15)9-6-11-7-9/h2,4,9,11H,3,5-7H2,1H3,(H,12,15)
InChIKeyIKJCWQGJPUTAIL-UHFFFAOYSA-N
XLogP-0.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide?
The IUPAC name of N-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide (CID 73439221) is N-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide?
The canonical SMILES for N-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide is Cc1ccn(CCNC(=O)C2CNC2)n1.
What is the InChIKey of N-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide?
The InChIKey is IKJCWQGJPUTAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8-2-4-14(13-8)5-3-12-10(15)9-6-11-7-9/h2,4,9,11H,3,5-7H2,1H3,(H,12,15).
What are the key properties of N-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide?
N-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 73439221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).