3-hydroxy-4-methyl-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]pentanamide

C13H19N5O2 — CID 75482781

IUPAC3-hydroxy-4-methyl-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]pentanamide
SMILESCC(C)C(O)CC(=O)Nc1cc(-c2nccn2C)[nH]n1
InChIInChI=1S/C13H19N5O2/c1-8(2)10(19)7-12(20)15-11-6-9(16-17-11)13-14-4-5-18(13)3/h4-6,8,10,19H,7H2,1-3H3,(H2,15,16,17,20)
InChIKeyITDYSOGXMFVRNI-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.16
Rot. Bonds5

About 3-hydroxy-4-methyl-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]pentanamide

3-hydroxy-4-methyl-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]pentanamide (PubChem CID 75482781) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]pentanamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]pentanamide
PubChem CID75482781
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-hydroxy-4-methyl-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]pentanamide
SMILESCC(C)C(O)CC(=O)Nc1cc(-c2nccn2C)[nH]n1
InChIInChI=1S/C13H19N5O2/c1-8(2)10(19)7-12(20)15-11-6-9(16-17-11)13-14-4-5-18(13)3/h4-6,8,10,19H,7H2,1-3H3,(H2,15,16,17,20)
InChIKeyITDYSOGXMFVRNI-UHFFFAOYSA-N
XLogP1.16
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]pentanamide?
The IUPAC name of 3-hydroxy-4-methyl-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]pentanamide (CID 75482781) is 3-hydroxy-4-methyl-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]pentanamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]pentanamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]pentanamide is CC(C)C(O)CC(=O)Nc1cc(-c2nccn2C)[nH]n1.
What is the InChIKey of 3-hydroxy-4-methyl-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]pentanamide?
The InChIKey is ITDYSOGXMFVRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-8(2)10(19)7-12(20)15-11-6-9(16-17-11)13-14-4-5-18(13)3/h4-6,8,10,19H,7H2,1-3H3,(H2,15,16,17,20).
What are the key properties of 3-hydroxy-4-methyl-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]pentanamide?
3-hydroxy-4-methyl-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]pentanamide has a molecular weight of 277.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]pentanamide is sourced from PubChem (CID 75482781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).