(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1H-pyrazol-5-yl)methyl]butanamide

C15H27N3O3 — CID 164617798

IUPAC(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1H-pyrazol-5-yl)methyl]butanamide
SMILESCCCCCc1cc(CNC(=O)[C@H](O)C(C)(C)CO)[nH]n1
InChIInChI=1S/C15H27N3O3/c1-4-5-6-7-11-8-12(18-17-11)9-16-14(21)13(20)15(2,3)10-19/h8,13,19-20H,4-7,9-10H2,1-3H3,(H,16,21)(H,17,18)/t13-/m0/s1
InChIKeyZAUMIWVEWWMYLJ-ZDUSSCGKSA-N
MW297.40 g/mol
LogP1.14
Rot. Bonds9

About (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1H-pyrazol-5-yl)methyl]butanamide

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1H-pyrazol-5-yl)methyl]butanamide (PubChem CID 164617798) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1H-pyrazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1H-pyrazol-5-yl)methyl]butanamide
PubChem CID164617798
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1H-pyrazol-5-yl)methyl]butanamide
SMILESCCCCCc1cc(CNC(=O)[C@H](O)C(C)(C)CO)[nH]n1
InChIInChI=1S/C15H27N3O3/c1-4-5-6-7-11-8-12(18-17-11)9-16-14(21)13(20)15(2,3)10-19/h8,13,19-20H,4-7,9-10H2,1-3H3,(H,16,21)(H,17,18)/t13-/m0/s1
InChIKeyZAUMIWVEWWMYLJ-ZDUSSCGKSA-N
XLogP1.14
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1H-pyrazol-5-yl)methyl]butanamide?
The IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1H-pyrazol-5-yl)methyl]butanamide (CID 164617798) is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1H-pyrazol-5-yl)methyl]butanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1H-pyrazol-5-yl)methyl]butanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1H-pyrazol-5-yl)methyl]butanamide is CCCCCc1cc(CNC(=O)[C@H](O)C(C)(C)CO)[nH]n1.
What is the InChIKey of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1H-pyrazol-5-yl)methyl]butanamide?
The InChIKey is ZAUMIWVEWWMYLJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-4-5-6-7-11-8-12(18-17-11)9-16-14(21)13(20)15(2,3)10-19/h8,13,19-20H,4-7,9-10H2,1-3H3,(H,16,21)(H,17,18)/t13-/m0/s1.
What are the key properties of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1H-pyrazol-5-yl)methyl]butanamide?
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1H-pyrazol-5-yl)methyl]butanamide has a molecular weight of 297.40 g/mol, XLogP of 1.14, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1H-pyrazol-5-yl)methyl]butanamide is sourced from PubChem (CID 164617798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).