(2S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide

C14H21N5O2 — CID 97154125

IUPAC(2S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@@H](C(=O)N(CCO)Cc1nccn1C)n1cccn1
InChIInChI=1S/C14H21N5O2/c1-3-12(19-7-4-5-16-19)14(21)18(9-10-20)11-13-15-6-8-17(13)2/h4-8,12,20H,3,9-11H2,1-2H3/t12-/m0/s1
InChIKeyUVSNQCUKEHIKIX-LBPRGKRZSA-N
MW291.35 g/mol
LogP0.59
Rot. Bonds7

About (2S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide

(2S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide (PubChem CID 97154125) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(2S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide
PubChem CID97154125
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name(2S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@@H](C(=O)N(CCO)Cc1nccn1C)n1cccn1
InChIInChI=1S/C14H21N5O2/c1-3-12(19-7-4-5-16-19)14(21)18(9-10-20)11-13-15-6-8-17(13)2/h4-8,12,20H,3,9-11H2,1-2H3/t12-/m0/s1
InChIKeyUVSNQCUKEHIKIX-LBPRGKRZSA-N
XLogP0.59
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of (2S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide (CID 97154125) is (2S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for (2S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for (2S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide is CC[C@@H](C(=O)N(CCO)Cc1nccn1C)n1cccn1.
What is the InChIKey of (2S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is UVSNQCUKEHIKIX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-12(19-7-4-5-16-19)14(21)18(9-10-20)11-13-15-6-8-17(13)2/h4-8,12,20H,3,9-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide?
(2S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 291.35 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 97154125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).