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

C14H23N3O2 — CID 164632014

IUPACN,3-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N(C)C[C@H]2CCOC2)c(C)n1
InChIInChI=1S/C14H23N3O2/c1-4-6-17-9-13(11(2)15-17)14(18)16(3)8-12-5-7-19-10-12/h9,12H,4-8,10H2,1-3H3/t12-/m1/s1
InChIKeyQEDKGFJOTKOFLU-GFCCVEGCSA-N
MW265.36 g/mol
LogP1.71
Rot. Bonds5

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

N,3-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide (PubChem CID 164632014) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N,3-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide
PubChem CID164632014
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN,3-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N(C)C[C@H]2CCOC2)c(C)n1
InChIInChI=1S/C14H23N3O2/c1-4-6-17-9-13(11(2)15-17)14(18)16(3)8-12-5-7-19-10-12/h9,12H,4-8,10H2,1-3H3/t12-/m1/s1
InChIKeyQEDKGFJOTKOFLU-GFCCVEGCSA-N
XLogP1.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.71
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-[[(3R)-oxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide (CID 164632014) is N,3-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)N(C)C[C@H]2CCOC2)c(C)n1.
What is the InChIKey of N,3-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is QEDKGFJOTKOFLU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-6-17-9-13(11(2)15-17)14(18)16(3)8-12-5-7-19-10-12/h9,12H,4-8,10H2,1-3H3/t12-/m1/s1.
What are the key properties of N,3-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide?
N,3-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.71, 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-[[(3R)-oxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 164632014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).