4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide

C19H23N3O3 — CID 128986254

IUPAC4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide
SMILESCn1nccc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-22-17(8-10-20-22)18-16(9-11-24-18)21-19(23)14-4-6-15(7-5-14)25-12-13-2-3-13/h4-8,10,13,16,18H,2-3,9,11-12H2,1H3,(H,21,23)/t16-,18-/m0/s1
InChIKeyKAKSFBDQHOXSSO-WMZOPIPTSA-N
MW341.41 g/mol
LogP2.47
Rot. Bonds6

About 4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide

4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide (PubChem CID 128986254) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide
PubChem CID128986254
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide
SMILESCn1nccc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-22-17(8-10-20-22)18-16(9-11-24-18)21-19(23)14-4-6-15(7-5-14)25-12-13-2-3-13/h4-8,10,13,16,18H,2-3,9,11-12H2,1H3,(H,21,23)/t16-,18-/m0/s1
InChIKeyKAKSFBDQHOXSSO-WMZOPIPTSA-N
XLogP2.47
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128969807
6-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]pyridine-2-carboxamide
CID 128986477
2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128970664
N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119602452
6-[[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile
CID 154756720
2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128986317
4-(cyclopropylmethoxy)-N-ethoxybenzamide
CID 60572474
4-(cyclopropylmethoxy)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556355
5-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 128986488
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574690
4-[[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]carbamoyl]benzenesulfonyl fluoride
CID 164629447

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide (CID 128986254) is 4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide is Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(OCC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide?
The InChIKey is KAKSFBDQHOXSSO-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-22-17(8-10-20-22)18-16(9-11-24-18)21-19(23)14-4-6-15(7-5-14)25-12-13-2-3-13/h4-8,10,13,16,18H,2-3,9,11-12H2,1H3,(H,21,23)/t16-,18-/m0/s1.
What are the key properties of 4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide?
4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide has a molecular weight of 341.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide is sourced from PubChem (CID 128986254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).