2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide

C11H17N3O2 — CID 97428010

IUPAC2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide
SMILESCC(C)C(=O)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C11H17N3O2/c1-8(2)11(15)13-9-5-12-14(6-9)10-3-4-16-7-10/h5-6,8,10H,3-4,7H2,1-2H3,(H,13,15)/t10-/m0/s1
InChIKeyPROSDKLGOFVDSA-JTQLQIEISA-N
MW223.28 g/mol
LogP1.44
Rot. Bonds3

About 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide

2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide (PubChem CID 97428010) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide
PubChem CID97428010
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide
SMILESCC(C)C(=O)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C11H17N3O2/c1-8(2)11(15)13-9-5-12-14(6-9)10-3-4-16-7-10/h5-6,8,10H,3-4,7H2,1-2H3,(H,13,15)/t10-/m0/s1
InChIKeyPROSDKLGOFVDSA-JTQLQIEISA-N
XLogP1.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-tert-butyl N-[(3R,4S)-4-(4-amino-1H-pyrazol-1-yl)oxolan-3-yl]carbamate
CID 132388300
N-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 45819875
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 47327916
N-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide
CID 75505806
2-cyclohexyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428018
N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide
CID 136513566
N-(3-methyloxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 68053188
N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 115881299
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-ethoxypropanamide
CID 60322467
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propoxyacetamide
CID 60322976
2,2,2-trifluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
CID 62728592
4,4,4-trifluoro-N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)butanamide
CID 76149494

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide (CID 97428010) is 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide is CC(C)C(=O)Nc1cnn([C@H]2CCOC2)c1.
What is the InChIKey of 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide?
The InChIKey is PROSDKLGOFVDSA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(2)11(15)13-9-5-12-14(6-9)10-3-4-16-7-10/h5-6,8,10H,3-4,7H2,1-2H3,(H,13,15)/t10-/m0/s1.
What are the key properties of 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide?
2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide has a molecular weight of 223.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 97428010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).