N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide

C12H19N3O3 — CID 91797838

IUPACN-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide
SMILESO=C(CCCn1cccn1)N[C@@H]1COCC[C@H]1O
InChIInChI=1S/C12H19N3O3/c16-11-4-8-18-9-10(11)14-12(17)3-1-6-15-7-2-5-13-15/h2,5,7,10-11,16H,1,3-4,6,8-9H2,(H,14,17)/t10-,11-/m1/s1
InChIKeyKWHCYBMJXPACIL-GHMZBOCLSA-N
MW253.30 g/mol
LogP-0.07
Rot. Bonds5

About N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide

N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide (PubChem CID 91797838) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide
PubChem CID91797838
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide
SMILESO=C(CCCn1cccn1)N[C@@H]1COCC[C@H]1O
InChIInChI=1S/C12H19N3O3/c16-11-4-8-18-9-10(11)14-12(17)3-1-6-15-7-2-5-13-15/h2,5,7,10-11,16H,1,3-4,6,8-9H2,(H,14,17)/t10-,11-/m1/s1
InChIKeyKWHCYBMJXPACIL-GHMZBOCLSA-N
XLogP-0.07
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 60706933
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N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-4-pyrazol-1-ylbutanamide
CID 121496147
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide
CID 135094246
4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 94821272
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 91770644
4-(4-pyrazol-1-ylbutanoyl)-1,4-oxazepane-6-carboxylic acid
CID 138808050
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide
CID 118792062
N-(2-pyrazol-1-ylethyl)oxolan-3-amine
CID 63335100
4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide
CID 136512774
N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide
CID 91797072
2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid
CID 103263462

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide (CID 91797838) is N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide is O=C(CCCn1cccn1)N[C@@H]1COCC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide?
The InChIKey is KWHCYBMJXPACIL-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H19N3O3/c16-11-4-8-18-9-10(11)14-12(17)3-1-6-15-7-2-5-13-15/h2,5,7,10-11,16H,1,3-4,6,8-9H2,(H,14,17)/t10-,11-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide?
N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide has a molecular weight of 253.30 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 91797838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).