N-[(3S,4S)-4-hydroxyoxan-3-yl]-3-(1H-pyrazol-4-yl)propanamide

C11H17N3O3 — CID 164629318

IUPACN-[(3S,4S)-4-hydroxyoxan-3-yl]-3-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CCc1cn[nH]c1)N[C@H]1COCC[C@@H]1O
InChIInChI=1S/C11H17N3O3/c15-10-3-4-17-7-9(10)14-11(16)2-1-8-5-12-13-6-8/h5-6,9-10,15H,1-4,7H2,(H,12,13)(H,14,16)/t9-,10-/m0/s1
InChIKeyTTZRMTZAHOBYQR-UWVGGRQHSA-N
MW239.27 g/mol
LogP-0.39
Rot. Bonds4

About N-[(3S,4S)-4-hydroxyoxan-3-yl]-3-(1H-pyrazol-4-yl)propanamide

N-[(3S,4S)-4-hydroxyoxan-3-yl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 164629318) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[(3S,4S)-4-hydroxyoxan-3-yl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-hydroxyoxan-3-yl]-3-(1H-pyrazol-4-yl)propanamide
PubChem CID164629318
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[(3S,4S)-4-hydroxyoxan-3-yl]-3-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CCc1cn[nH]c1)N[C@H]1COCC[C@@H]1O
InChIInChI=1S/C11H17N3O3/c15-10-3-4-17-7-9(10)14-11(16)2-1-8-5-12-13-6-8/h5-6,9-10,15H,1-4,7H2,(H,12,13)(H,14,16)/t9-,10-/m0/s1
InChIKeyTTZRMTZAHOBYQR-UWVGGRQHSA-N
XLogP-0.39
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-hydroxyoxan-3-yl]-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[(3S,4S)-4-hydroxyoxan-3-yl]-3-(1H-pyrazol-4-yl)propanamide (CID 164629318) is N-[(3S,4S)-4-hydroxyoxan-3-yl]-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(3S,4S)-4-hydroxyoxan-3-yl]-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[(3S,4S)-4-hydroxyoxan-3-yl]-3-(1H-pyrazol-4-yl)propanamide is O=C(CCc1cn[nH]c1)N[C@H]1COCC[C@@H]1O.
What is the InChIKey of N-[(3S,4S)-4-hydroxyoxan-3-yl]-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is TTZRMTZAHOBYQR-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-10-3-4-17-7-9(10)14-11(16)2-1-8-5-12-13-6-8/h5-6,9-10,15H,1-4,7H2,(H,12,13)(H,14,16)/t9-,10-/m0/s1.
What are the key properties of N-[(3S,4S)-4-hydroxyoxan-3-yl]-3-(1H-pyrazol-4-yl)propanamide?
N-[(3S,4S)-4-hydroxyoxan-3-yl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 239.27 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-hydroxyoxan-3-yl]-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 164629318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).