N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide

C16H27N3O2 — CID 129001970

IUPACN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)cn1
InChIInChI=1S/C16H27N3O2/c1-5-7-19-11-13(10-18-19)15(20)17-9-12-6-8-21-14(12)16(2,3)4/h10-12,14H,5-9H2,1-4H3,(H,17,20)/t12-,14+/m1/s1
InChIKeyBQQGWQIZJYBZDK-OCCSQVGLSA-N
MW293.41 g/mol
LogP2.47
Rot. Bonds5

About N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide

N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide (PubChem CID 129001970) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide
PubChem CID129001970
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)cn1
InChIInChI=1S/C16H27N3O2/c1-5-7-19-11-13(10-18-19)15(20)17-9-12-6-8-21-14(12)16(2,3)4/h10-12,14H,5-9H2,1-4H3,(H,17,20)/t12-,14+/m1/s1
InChIKeyBQQGWQIZJYBZDK-OCCSQVGLSA-N
XLogP2.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-propylpyrazole-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-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide (CID 129001970) is N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)cn1.
What is the InChIKey of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is BQQGWQIZJYBZDK-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-7-19-11-13(10-18-19)15(20)17-9-12-6-8-21-14(12)16(2,3)4/h10-12,14H,5-9H2,1-4H3,(H,17,20)/t12-,14+/m1/s1.
What are the key properties of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide?
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 129001970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).