N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]oxane-2-carboxamide

C15H25N3O2 — CID 56757436

IUPACN,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]oxane-2-carboxamide
SMILESCN(CCCc1cnn(C)c1)C(=O)C1(C)CCCCO1
InChIInChI=1S/C15H25N3O2/c1-15(8-4-5-10-20-15)14(19)17(2)9-6-7-13-11-16-18(3)12-13/h11-12H,4-10H2,1-3H3
InChIKeyCGSQLNCEWIQODV-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.77
Rot. Bonds5

About N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]oxane-2-carboxamide

N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]oxane-2-carboxamide (PubChem CID 56757436) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]oxane-2-carboxamide
PubChem CID56757436
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]oxane-2-carboxamide
SMILESCN(CCCc1cnn(C)c1)C(=O)C1(C)CCCCO1
InChIInChI=1S/C15H25N3O2/c1-15(8-4-5-10-20-15)14(19)17(2)9-6-7-13-11-16-18(3)12-13/h11-12H,4-10H2,1-3H3
InChIKeyCGSQLNCEWIQODV-UHFFFAOYSA-N
XLogP1.77
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]oxane-2-carboxamide?
The IUPAC name of N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]oxane-2-carboxamide (CID 56757436) is N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]oxane-2-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]oxane-2-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]oxane-2-carboxamide is CN(CCCc1cnn(C)c1)C(=O)C1(C)CCCCO1.
What is the InChIKey of N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]oxane-2-carboxamide?
The InChIKey is CGSQLNCEWIQODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(8-4-5-10-20-15)14(19)17(2)9-6-7-13-11-16-18(3)12-13/h11-12H,4-10H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]oxane-2-carboxamide?
N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]oxane-2-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]oxane-2-carboxamide is sourced from PubChem (CID 56757436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).