(2S)-2-imidazol-1-yl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]propanamide

C14H15N5OS — CID 95599262

IUPAC(2S)-2-imidazol-1-yl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]propanamide
SMILESCc1ccc(-c2cc(NC(=O)[C@H](C)n3ccnc3)n[nH]2)s1
InChIInChI=1S/C14H15N5OS/c1-9-3-4-12(21-9)11-7-13(18-17-11)16-14(20)10(2)19-6-5-15-8-19/h3-8,10H,1-2H3,(H2,16,17,18,20)/t10-/m0/s1
InChIKeyVTSULQHZRFMXMW-JTQLQIEISA-N
MW301.38 g/mol
LogP2.84
Rot. Bonds4

About (2S)-2-imidazol-1-yl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]propanamide

(2S)-2-imidazol-1-yl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]propanamide (PubChem CID 95599262) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is (2S)-2-imidazol-1-yl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-imidazol-1-yl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]propanamide
PubChem CID95599262
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name(2S)-2-imidazol-1-yl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]propanamide
SMILESCc1ccc(-c2cc(NC(=O)[C@H](C)n3ccnc3)n[nH]2)s1
InChIInChI=1S/C14H15N5OS/c1-9-3-4-12(21-9)11-7-13(18-17-11)16-14(20)10(2)19-6-5-15-8-19/h3-8,10H,1-2H3,(H2,16,17,18,20)/t10-/m0/s1
InChIKeyVTSULQHZRFMXMW-JTQLQIEISA-N
XLogP2.84
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-imidazol-1-yl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]propanamide?
The IUPAC name of (2S)-2-imidazol-1-yl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]propanamide (CID 95599262) is (2S)-2-imidazol-1-yl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for (2S)-2-imidazol-1-yl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for (2S)-2-imidazol-1-yl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]propanamide is Cc1ccc(-c2cc(NC(=O)[C@H](C)n3ccnc3)n[nH]2)s1.
What is the InChIKey of (2S)-2-imidazol-1-yl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]propanamide?
The InChIKey is VTSULQHZRFMXMW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N5OS/c1-9-3-4-12(21-9)11-7-13(18-17-11)16-14(20)10(2)19-6-5-15-8-19/h3-8,10H,1-2H3,(H2,16,17,18,20)/t10-/m0/s1.
What are the key properties of (2S)-2-imidazol-1-yl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]propanamide?
(2S)-2-imidazol-1-yl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]propanamide has a molecular weight of 301.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-imidazol-1-yl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 95599262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).