N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-methylpentanamide

C15H25N3O3 — CID 151588993

IUPACN-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccn(C[C@@H]2COC(C)(C)O2)n1
InChIInChI=1S/C15H25N3O3/c1-11(2)5-6-14(19)16-13-7-8-18(17-13)9-12-10-20-15(3,4)21-12/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,16,17,19)/t12-/m1/s1
InChIKeyQICFQUZBDVMFMN-GFCCVEGCSA-N
MW295.38 g/mol
LogP2.41
Rot. Bonds6

About N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-methylpentanamide

N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-methylpentanamide (PubChem CID 151588993) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-methylpentanamide
PubChem CID151588993
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccn(C[C@@H]2COC(C)(C)O2)n1
InChIInChI=1S/C15H25N3O3/c1-11(2)5-6-14(19)16-13-7-8-18(17-13)9-12-10-20-15(3,4)21-12/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,16,17,19)/t12-/m1/s1
InChIKeyQICFQUZBDVMFMN-GFCCVEGCSA-N
XLogP2.41
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-methylpentanamide?
The IUPAC name of N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-methylpentanamide (CID 151588993) is N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-methylpentanamide.
What is the SMILES notation for N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-methylpentanamide?
The canonical SMILES for N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-methylpentanamide is CC(C)CCC(=O)Nc1ccn(C[C@@H]2COC(C)(C)O2)n1.
What is the InChIKey of N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-methylpentanamide?
The InChIKey is QICFQUZBDVMFMN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11(2)5-6-14(19)16-13-7-8-18(17-13)9-12-10-20-15(3,4)21-12/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,16,17,19)/t12-/m1/s1.
What are the key properties of N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-methylpentanamide?
N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-methylpentanamide has a molecular weight of 295.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-methylpentanamide is sourced from PubChem (CID 151588993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).