N,3-dimethyl-N-[[(2R)-oxan-2-yl]methyl]-1-propylpyrazole-4-carboxamide

C15H25N3O2 — CID 95190406

IUPACN,3-dimethyl-N-[[(2R)-oxan-2-yl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N(C)C[C@H]2CCCCO2)c(C)n1
InChIInChI=1S/C15H25N3O2/c1-4-8-18-11-14(12(2)16-18)15(19)17(3)10-13-7-5-6-9-20-13/h11,13H,4-10H2,1-3H3/t13-/m1/s1
InChIKeyXFBACOPQDCDIIV-CYBMUJFWSA-N
MW279.38 g/mol
LogP2.24
Rot. Bonds5

About N,3-dimethyl-N-[[(2R)-oxan-2-yl]methyl]-1-propylpyrazole-4-carboxamide

N,3-dimethyl-N-[[(2R)-oxan-2-yl]methyl]-1-propylpyrazole-4-carboxamide (PubChem CID 95190406) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N,3-dimethyl-N-[[(2R)-oxan-2-yl]methyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[[(2R)-oxan-2-yl]methyl]-1-propylpyrazole-4-carboxamide
PubChem CID95190406
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN,3-dimethyl-N-[[(2R)-oxan-2-yl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N(C)C[C@H]2CCCCO2)c(C)n1
InChIInChI=1S/C15H25N3O2/c1-4-8-18-11-14(12(2)16-18)15(19)17(3)10-13-7-5-6-9-20-13/h11,13H,4-10H2,1-3H3/t13-/m1/s1
InChIKeyXFBACOPQDCDIIV-CYBMUJFWSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[(2R)-oxan-2-yl]methyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-N-[[(2R)-oxan-2-yl]methyl]-1-propylpyrazole-4-carboxamide (CID 95190406) is N,3-dimethyl-N-[[(2R)-oxan-2-yl]methyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[[(2R)-oxan-2-yl]methyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[[(2R)-oxan-2-yl]methyl]-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)N(C)C[C@H]2CCCCO2)c(C)n1.
What is the InChIKey of N,3-dimethyl-N-[[(2R)-oxan-2-yl]methyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is XFBACOPQDCDIIV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-8-18-11-14(12(2)16-18)15(19)17(3)10-13-7-5-6-9-20-13/h11,13H,4-10H2,1-3H3/t13-/m1/s1.
What are the key properties of N,3-dimethyl-N-[[(2R)-oxan-2-yl]methyl]-1-propylpyrazole-4-carboxamide?
N,3-dimethyl-N-[[(2R)-oxan-2-yl]methyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[(2R)-oxan-2-yl]methyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 95190406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).