5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide

C16H20N4O3S — CID 91779561

IUPAC5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H20N4O3S/c21-16(13-5-12(19-20-13)10-1-2-10)18-14-7-22-4-3-15(14)23-6-11-8-24-9-17-11/h5,8-10,14-15H,1-4,6-7H2,(H,18,21)(H,19,20)/t14-,15+/m1/s1
InChIKeyVBBDUAGVCIIOIO-CABCVRRESA-N
MW348.43 g/mol
LogP1.85
Rot. Bonds6

About 5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 91779561) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID91779561
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H20N4O3S/c21-16(13-5-12(19-20-13)10-1-2-10)18-14-7-22-4-3-15(14)23-6-11-8-24-9-17-11/h5,8-10,14-15H,1-4,6-7H2,(H,18,21)(H,19,20)/t14-,15+/m1/s1
InChIKeyVBBDUAGVCIIOIO-CABCVRRESA-N
XLogP1.85
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide (CID 91779561) is 5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide is O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is VBBDUAGVCIIOIO-CABCVRRESA-N. The full InChI is InChI=1S/C16H20N4O3S/c21-16(13-5-12(19-20-13)10-1-2-10)18-14-7-22-4-3-15(14)23-6-11-8-24-9-17-11/h5,8-10,14-15H,1-4,6-7H2,(H,18,21)(H,19,20)/t14-,15+/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91779561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).