(2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide

C17H25N5O2 — CID 129326780

IUPAC(2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)Cn1cccn1
InChIInChI=1S/C17H25N5O2/c1-11(10-22-8-5-7-18-22)19-17(23)14-6-9-24-16(14)15-12(2)20-21(4)13(15)3/h5,7-8,11,14,16H,6,9-10H2,1-4H3,(H,19,23)/t11-,14+,16+/m1/s1
InChIKeyNDFCXXFJBKWSKK-WPGHFRTFSA-N
MW331.42 g/mol
LogP1.52
Rot. Bonds5

About (2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide

(2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 129326780) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID129326780
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)Cn1cccn1
InChIInChI=1S/C17H25N5O2/c1-11(10-22-8-5-7-18-22)19-17(23)14-6-9-24-16(14)15-12(2)20-21(4)13(15)3/h5,7-8,11,14,16H,6,9-10H2,1-4H3,(H,19,23)/t11-,14+,16+/m1/s1
InChIKeyNDFCXXFJBKWSKK-WPGHFRTFSA-N
XLogP1.52
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 129327246
(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 86812166
(2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 129325500
2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 79388175
(2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128995869
(4R,5S)-1-methyl-4-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 129338780
(2S,3S)-N-(2,6-dimethyl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128972023
(2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128973107
2-amino-N-(1-pyrazol-1-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 64824492
2-methyl-3-pyrazol-1-yl-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 71932937
(2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 129006792
4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511550

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide (CID 129326780) is (2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)Cn1cccn1.
What is the InChIKey of (2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is NDFCXXFJBKWSKK-WPGHFRTFSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11(10-22-8-5-7-18-22)19-17(23)14-6-9-24-16(14)15-12(2)20-21(4)13(15)3/h5,7-8,11,14,16H,6,9-10H2,1-4H3,(H,19,23)/t11-,14+,16+/m1/s1.
What are the key properties of (2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 129326780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).