4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)butanamide

C11H14N4OS — CID 122558518

IUPAC4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)butanamide
SMILESO=C(CCCc1cn[nH]c1)NCc1cscn1
InChIInChI=1S/C11H14N4OS/c16-11(12-6-10-7-17-8-13-10)3-1-2-9-4-14-15-5-9/h4-5,7-8H,1-3,6H2,(H,12,16)(H,14,15)
InChIKeyGJBXWRCJVISITJ-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.51
Rot. Bonds6

About 4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)butanamide

4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)butanamide (PubChem CID 122558518) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)butanamide
PubChem CID122558518
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)butanamide
SMILESO=C(CCCc1cn[nH]c1)NCc1cscn1
InChIInChI=1S/C11H14N4OS/c16-11(12-6-10-7-17-8-13-10)3-1-2-9-4-14-15-5-9/h4-5,7-8H,1-3,6H2,(H,12,16)(H,14,15)
InChIKeyGJBXWRCJVISITJ-UHFFFAOYSA-N
XLogP1.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)butanamide?
The IUPAC name of 4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)butanamide (CID 122558518) is 4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)butanamide.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)butanamide?
The canonical SMILES for 4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)butanamide is O=C(CCCc1cn[nH]c1)NCc1cscn1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)butanamide?
The InChIKey is GJBXWRCJVISITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c16-11(12-6-10-7-17-8-13-10)3-1-2-9-4-14-15-5-9/h4-5,7-8H,1-3,6H2,(H,12,16)(H,14,15).
What are the key properties of 4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)butanamide?
4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)butanamide has a molecular weight of 250.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)butanamide is sourced from PubChem (CID 122558518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).