(2S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide

C11H15N5O — CID 124576239

IUPAC(2S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@@H](C(=O)NCCc1ncc[nH]1)n1cccn1
InChIInChI=1S/C11H15N5O/c1-9(16-8-2-4-15-16)11(17)14-5-3-10-12-6-7-13-10/h2,4,6-9H,3,5H2,1H3,(H,12,13)(H,14,17)/t9-/m0/s1
InChIKeyBVAHYHCJHSWZNT-VIFPVBQESA-N
MW233.28 g/mol
LogP0.53
Rot. Bonds5

About (2S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide

(2S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 124576239) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is (2S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
PubChem CID124576239
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name(2S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@@H](C(=O)NCCc1ncc[nH]1)n1cccn1
InChIInChI=1S/C11H15N5O/c1-9(16-8-2-4-15-16)11(17)14-5-3-10-12-6-7-13-10/h2,4,6-9H,3,5H2,1H3,(H,12,13)(H,14,17)/t9-/m0/s1
InChIKeyBVAHYHCJHSWZNT-VIFPVBQESA-N
XLogP0.53
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide (CID 124576239) is (2S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide is C[C@@H](C(=O)NCCc1ncc[nH]1)n1cccn1.
What is the InChIKey of (2S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is BVAHYHCJHSWZNT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N5O/c1-9(16-8-2-4-15-16)11(17)14-5-3-10-12-6-7-13-10/h2,4,6-9H,3,5H2,1H3,(H,12,13)(H,14,17)/t9-/m0/s1.
What are the key properties of (2S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide?
(2S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 233.28 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 124576239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).