N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide

C16H27N3O2 — CID 164639710

IUPACN-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1nn(C)cc1C(=O)NC[C@]1(O)CCCC1(C)C
InChIInChI=1S/C16H27N3O2/c1-11(2)13-12(9-19(5)18-13)14(20)17-10-16(21)8-6-7-15(16,3)4/h9,11,21H,6-8,10H2,1-5H3,(H,17,20)/t16-/m1/s1
InChIKeyMYFKMRCYBJQEDY-MRXNPFEDSA-N
MW293.41 g/mol
LogP2.21
Rot. Bonds4

About N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide

N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide (PubChem CID 164639710) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide
PubChem CID164639710
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1nn(C)cc1C(=O)NC[C@]1(O)CCCC1(C)C
InChIInChI=1S/C16H27N3O2/c1-11(2)13-12(9-19(5)18-13)14(20)17-10-16(21)8-6-7-15(16,3)4/h9,11,21H,6-8,10H2,1-5H3,(H,17,20)/t16-/m1/s1
InChIKeyMYFKMRCYBJQEDY-MRXNPFEDSA-N
XLogP2.21
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide 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-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide (CID 164639710) is N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide is CC(C)c1nn(C)cc1C(=O)NC[C@]1(O)CCCC1(C)C.
What is the InChIKey of N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is MYFKMRCYBJQEDY-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)13-12(9-19(5)18-13)14(20)17-10-16(21)8-6-7-15(16,3)4/h9,11,21H,6-8,10H2,1-5H3,(H,17,20)/t16-/m1/s1.
What are the key properties of N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide?
N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 164639710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).