3-(4-bromopyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide

C11H12BrN3OS — CID 4771005

IUPAC3-(4-bromopyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCn1cc(Br)cn1)NCc1cccs1
InChIInChI=1S/C11H12BrN3OS/c12-9-6-14-15(8-9)4-3-11(16)13-7-10-2-1-5-17-10/h1-2,5-6,8H,3-4,7H2,(H,13,16)
InChIKeyVUVXFDFGIZEVFW-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.41
Rot. Bonds5

About 3-(4-bromopyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide

3-(4-bromopyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 4771005) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID4771005
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name3-(4-bromopyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCn1cc(Br)cn1)NCc1cccs1
InChIInChI=1S/C11H12BrN3OS/c12-9-6-14-15(8-9)4-3-11(16)13-7-10-2-1-5-17-10/h1-2,5-6,8H,3-4,7H2,(H,13,16)
InChIKeyVUVXFDFGIZEVFW-UHFFFAOYSA-N
XLogP2.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-methyl-N-(2-thienylmethyl)-1H-pyrazole-5-carboxamide
CID 1236038
3-pyrazol-1-yl-N-(1-thiophen-2-ylethyl)propanamide
CID 45802489
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-pyrazol-1-ylpropanamide
CID 45811751
3-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
CID 45815352
N-(1-pyrazol-1-ylpropan-2-yl)-2-thiophen-2-ylacetamide
CID 45818981
3-[(4-Bromothiophen-2-yl)methyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 45832105
N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-carboxamide
CID 45887140
2-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 51075753
3-pyrazol-1-yl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 53526247
2-(1-pyrazol-1-ylpropan-2-ylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 53559384
2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide
CID 56781060
2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 72043994

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 4771005) is 3-(4-bromopyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide is O=C(CCn1cc(Br)cn1)NCc1cccs1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is VUVXFDFGIZEVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c12-9-6-14-15(8-9)4-3-11(16)13-7-10-2-1-5-17-10/h1-2,5-6,8H,3-4,7H2,(H,13,16).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
3-(4-bromopyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 314.21 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 4771005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).