N-(1-propan-2-yl-5-propoxypyrazol-3-yl)azetidine-3-carboxamide

C13H22N4O2 — CID 146314203

IUPACN-(1-propan-2-yl-5-propoxypyrazol-3-yl)azetidine-3-carboxamide
SMILESCCCOc1cc(NC(=O)C2CNC2)nn1C(C)C
InChIInChI=1S/C13H22N4O2/c1-4-5-19-12-6-11(16-17(12)9(2)3)15-13(18)10-7-14-8-10/h6,9-10,14H,4-5,7-8H2,1-3H3,(H,15,16,18)
InChIKeyMXCKMYOUMLLVHR-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.41
Rot. Bonds6

About N-(1-propan-2-yl-5-propoxypyrazol-3-yl)azetidine-3-carboxamide

N-(1-propan-2-yl-5-propoxypyrazol-3-yl)azetidine-3-carboxamide (PubChem CID 146314203) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(1-propan-2-yl-5-propoxypyrazol-3-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-yl-5-propoxypyrazol-3-yl)azetidine-3-carboxamide
PubChem CID146314203
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(1-propan-2-yl-5-propoxypyrazol-3-yl)azetidine-3-carboxamide
SMILESCCCOc1cc(NC(=O)C2CNC2)nn1C(C)C
InChIInChI=1S/C13H22N4O2/c1-4-5-19-12-6-11(16-17(12)9(2)3)15-13(18)10-7-14-8-10/h6,9-10,14H,4-5,7-8H2,1-3H3,(H,15,16,18)
InChIKeyMXCKMYOUMLLVHR-UHFFFAOYSA-N
XLogP1.41
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-yl-5-propoxypyrazol-3-yl)azetidine-3-carboxamide?
The IUPAC name of N-(1-propan-2-yl-5-propoxypyrazol-3-yl)azetidine-3-carboxamide (CID 146314203) is N-(1-propan-2-yl-5-propoxypyrazol-3-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(1-propan-2-yl-5-propoxypyrazol-3-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(1-propan-2-yl-5-propoxypyrazol-3-yl)azetidine-3-carboxamide is CCCOc1cc(NC(=O)C2CNC2)nn1C(C)C.
What is the InChIKey of N-(1-propan-2-yl-5-propoxypyrazol-3-yl)azetidine-3-carboxamide?
The InChIKey is MXCKMYOUMLLVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-5-19-12-6-11(16-17(12)9(2)3)15-13(18)10-7-14-8-10/h6,9-10,14H,4-5,7-8H2,1-3H3,(H,15,16,18).
What are the key properties of N-(1-propan-2-yl-5-propoxypyrazol-3-yl)azetidine-3-carboxamide?
N-(1-propan-2-yl-5-propoxypyrazol-3-yl)azetidine-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-yl-5-propoxypyrazol-3-yl)azetidine-3-carboxamide is sourced from PubChem (CID 146314203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).